PubChemLite - Bis(tridecafluorohexyl) disulphide (C12F26S2)

Structural Information

Molecular Formula

SMILES

C(C(C(C(F)(F)SSC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C12F26S2/c13-1(14,5(21,22)9(29,30)31)3(17,18)7(25,26)11(35,36)39-40-12(37,38)8(27,28)4(19,20)2(15,16)6(23,24)10(32,33)34

InChIKey

OCCOAYPOGQDEOQ-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyldisulfanyl)hexane

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]+	702.90993	167.1
[M+Na]+	724.89187	167.2
[M+NH4]+	719.93647	167.2
[M+K]+	740.86581	167.3
[M-H]-	700.89537	167.1
[M+Na-2H]-	722.87732	167.3
[M]+	701.90210	167.1
[M]-	701.90320	167.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

702.90993

167.1

[M+Na]+

724.89187

167.2

[M+NH4]+

719.93647

167.2

[M+K]+

740.86581

167.3

[M-H]-

700.89537

167.1

[M+Na-2H]-

722.87732

167.3

[M]+

701.90210

167.1

[M]-

701.90320

167.1

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

Bis(tridecafluorohexyl) disulphide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe