PubChemLite - Dtxsid00895453 (C32H41F25)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCC(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/C32H41F25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(33,34)22(35,36)23(37,38)24(39,40)25(41,42)26(43,44)27(45,46)28(47,48)29(49,50)30(51,52)31(53,54)32(55,56)57/h2-20H2,1H3

InChIKey

PVFJLWHOPPXJMD-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-pentacosafluorodotriacontane

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]+	901.28818	248.2
[M+Na]+	923.27012	249.5
[M-H]-	899.27362	253.3
[M+NH4]+	918.31472	258.8
[M+K]+	939.24406	268.1
[M+H-H2O]+	883.27816	233.2
[M+HCOO]-	945.27910	261.4
[M+CH3COO]-	959.29475	291.7
[M+Na-2H]-	921.25557	242.7
[M]+	900.28035	246.1
[M]-	900.28145	246.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

901.28818

248.2

[M+Na]+

923.27012

249.5

[M-H]-

899.27362

253.3

[M+NH4]+

918.31472

258.8

[M+K]+

939.24406

268.1

[M+H-H2O]+

883.27816

233.2

[M+HCOO]-

945.27910

261.4

[M+CH3COO]-

959.29475

291.7

[M+Na-2H]-

921.25557

242.7

[M]+

900.28035

246.1

[M]-

900.28145

246.1

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

Dtxsid00895453

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe