PubChemLite - Dtxsid60895459 (C31H39F25)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C31H39F25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(32,33)21(34,35)22(36,37)23(38,39)24(40,41)25(42,43)26(44,45)27(46,47)28(48,49)29(50,51)30(52,53)31(54,55)56/h2-19H2,1H3

InChIKey

UWHCDIVGZGOVSH-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorohentriacontane

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]+	887.27254	152.6
[M+Na]+	909.25448	152.6
[M+NH4]+	904.29908	152.6
[M+K]+	925.22842	152.6
[M-H]-	885.25798	152.6
[M+Na-2H]-	907.23993	152.6
[M]+	886.26471	152.6
[M]-	886.26581	152.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

887.27254

152.6

[M+Na]+

909.25448

152.6

[M+NH4]+

904.29908

152.6

[M+K]+

925.22842

152.6

[M-H]-

885.25798

152.6

[M+Na-2H]-

907.23993

152.6

[M]+

886.26471

152.6

[M]-

886.26581

152.6

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

Dtxsid60895459

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe