CID 67795

372-64-5

Structural Information

Molecular Formula

C₂F₆S₂

SMILES

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

InChI

InChI=1S/C2F6S2/c3-1(4,5)9-10-2(6,7)8

InChIKey

CGMFFOXAQVRUAZ-UHFFFAOYSA-N

Compound name

trifluoro-(trifluoromethyldisulfanyl)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 247
Patents: 201.93456 Da
Monoisotopic Mass: 3.3
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]+	202.94184	124.4
[M+Na]+	224.92378	133.6
[M-H]-	200.92728	117.3
[M+NH4]+	219.96838	143.6
[M+K]+	240.89772	130.2
[M+H-H2O]+	184.93182	114.9
[M+HCOO]-	246.93276	128.9
[M+CH3COO]-	260.94841	180.8
[M+Na-2H]-	222.90923	125.2
[M]+	201.93401	118.3
[M]-	201.93511	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe