Bis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phenylphosphine (C32H17F26P)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)P(C2=CC=C(C=C2)CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)C3=CC=C(C=C3)CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C32H17F26P/c33-23(34,25(37,38)31(53,54)55)21(27(41,42)43,28(44,45)46)14-16-6-10-19(11-7-16)59(18-4-2-1-3-5-18)20-12-8-17(9-13-20)15-22(29(47,48)49,30(50,51)52)24(35,36)26(39,40)32(56,57)58/h1-13H,14-15H2

InChIKey

JKFFEJFWOMHYDX-UHFFFAOYSA-N

Compound name

bis[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]-phenylphosphane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	927.072526	234.1
[M+Na]+	949.054468	240.6
[M-H]-	925.057974	243.1
[M+NH4]+	944.099073	246.7
[M+K]+	965.028408	250.6
[M+H-H2O]+	909.062510	219.2
[M+HCOO]-	971.063451	256.8
[M+CH3COO]-	985.079101	288.2
[M+Na-2H]-	947.039916	231.4
[M]+	926.06470142	230.3
[M]-	926.06579858	230.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

927.072526

234.1

[M+Na]+

949.054468

240.6

[M-H]-

925.057974

243.1

[M+NH4]+

944.099073

246.7

[M+K]+

965.028408

250.6

[M+H-H2O]+

909.062510

219.2

[M+HCOO]-

971.063451

256.8

[M+CH3COO]-

985.079101

288.2

[M+Na-2H]-

947.039916

231.4

[M]+

926.06470142

230.3

[M]-

926.06579858

230.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Bis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phenylphosphine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe