PubChemLite - 290827-94-0 (C34H21F26P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C34H21F26P/c35-23(36,25(39,40)27(43,44)29(47,48)31(51,52)33(55,56)57)16-14-18-6-10-21(11-7-18)61(20-4-2-1-3-5-20)22-12-8-19(9-13-22)15-17-24(37,38)26(41,42)28(45,46)30(49,50)32(53,54)34(58,59)60/h1-13H,14-17H2

InChIKey

GNCTUKGIBHXUPH-UHFFFAOYSA-N

Compound name

phenyl-bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]phosphane

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]+	955.10384	239.0
[M+Na]+	977.08578	245.1
[M-H]-	953.08928	247.2
[M+NH4]+	972.13038	251.5
[M+K]+	993.05972	255.8
[M+H-H2O]+	937.09382	223.9
[M+HCOO]-	999.09476	260.9
[M+CH3COO]-	1013.1104	293.3
[M+Na-2H]-	975.07123	235.6
[M]+	954.09601	235.4
[M]-	954.09711	235.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

955.10384

239.0

[M+Na]+

977.08578

245.1

[M-H]-

953.08928

247.2

[M+NH4]+

972.13038

251.5

[M+K]+

993.05972

255.8

[M+H-H2O]+

937.09382

223.9

[M+HCOO]-

999.09476

260.9

[M+CH3COO]-

1013.1104

293.3

[M+Na-2H]-

975.07123

235.6

[M]+

954.09601

235.4

[M]-

954.09711

235.4

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

290827-94-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe