PubChemLite - 462996-04-9 (C28H18F17P)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)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/C28H18F17P/c29-21(30,22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)27(41,42)28(43,44)45)16-15-17-11-13-20(14-12-17)46(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15-16H2

InChIKey

UPXCRVHPPXSSDG-UHFFFAOYSA-N

Compound name

[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylphosphane

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]+	709.09474	160.2
[M+Na]+	731.07668	160.4
[M+NH4]+	726.12128	160.1
[M+K]+	747.05062	160.8
[M-H]-	707.08018	159.1
[M+Na-2H]-	729.06213	161.0
[M]+	708.08691	159.9
[M]-	708.08801	159.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

709.09474

160.2

[M+Na]+

731.07668

160.4

[M+NH4]+

726.12128

160.1

[M+K]+

747.05062

160.8

[M-H]-

707.08018

159.1

[M+Na-2H]-

729.06213

161.0

[M]+

708.08691

159.9

[M]-

708.08801

159.9

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

462996-04-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe