CID 3023059

Bis(tridecafluorohexyl) disulphide

Structural Information

Molecular Formula

C₁₂F₂₆S₂

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

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 701.90265 Da
Monoisotopic Mass: 10.0
XlogP (predicted)

Profile

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]+	702.909926	201.3
[M+Na]+	724.891868	202.2
[M-H]-	700.895374	206.0
[M+NH4]+	719.936473	210.5
[M+K]+	740.865808	216.9
[M+H-H2O]+	684.899910	188.4
[M+HCOO]-	746.900851	217.5
[M+CH3COO]-	760.916501	259.6
[M+Na-2H]-	722.877316	201.2
[M]+	701.90210142	201.8
[M]-	701.90319858	201.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe