PubChemLite - Bis[4-(1h,1h,2h,2h-perfluorodecyl)phenyl]phenylphosphine (C38H21F34P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C38H21F34P/c39-23(40,25(43,44)27(47,48)29(51,52)31(55,56)33(59,60)35(63,64)37(67,68)69)16-14-18-6-10-21(11-7-18)73(20-4-2-1-3-5-20)22-12-8-19(9-13-22)15-17-24(41,42)26(45,46)28(49,50)30(53,54)32(57,58)34(61,62)36(65,66)38(70,71)72/h1-13H,14-17H2

InChIKey

GMHNZJNJORCMQJ-UHFFFAOYSA-N

Compound name

bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)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]+	1155.0910	270.1
[M+Na]+	1177.0729	273.7
[M-H]-	1153.0764	280.7
[M+NH4]+	1172.1175	282.5
[M+K]+	1193.0469	286.9
[M+H-H2O]+	1137.0810	255.6
[M+HCOO]-	1199.0819	286.9
[M+CH3COO]-	1213.0976	296.3
[M+Na-2H]-	1175.0584	268.5
[M]+	1154.0832	265.7
[M]-	1154.0842	265.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1155.0910

270.1

[M+Na]+

1177.0729

273.7

[M-H]-

1153.0764

280.7

[M+NH4]+

1172.1175

282.5

[M+K]+

1193.0469

286.9

[M+H-H2O]+

1137.0810

255.6

[M+HCOO]-

1199.0819

286.9

[M+CH3COO]-

1213.0976

296.3

[M+Na-2H]-

1175.0584

268.5

[M]+

1154.0832

265.7

[M]-

1154.0842

265.7

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

Bis[4-(1h,1h,2h,2h-perfluorodecyl)phenyl]phenylphosphine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe