PubChemLite - Dtxsid60895414 (C29H39F21)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCC(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

InChI

InChI=1S/C29H39F21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)26(42,43)27(44,45)28(46,47)29(48,49)50/h2-19H2,1H3

InChIKey

RAYVCZDHWHRTKY-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-henicosafluorononacosane

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]+	787.27895	153.2
[M+Na]+	809.26089	153.2
[M+NH4]+	804.30549	153.2
[M+K]+	825.23483	153.2
[M-H]-	785.26439	153.2
[M+Na-2H]-	807.24634	153.2
[M]+	786.27112	153.2
[M]-	786.27222	153.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

787.27895

153.2

[M+Na]+

809.26089

153.2

[M+NH4]+

804.30549

153.2

[M+K]+

825.23483

153.2

[M-H]-

785.26439

153.2

[M+Na-2H]-

807.24634

153.2

[M]+

786.27112

153.2

[M]-

786.27222

153.2

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

Dtxsid60895414

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe