CID 67931

Bis(trifluoromethylsulphonyl)methane

Structural Information

Molecular Formula

C₃H₂F₆O₄S₂

SMILES

C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C3H2F6O4S2/c4-2(5,6)14(10,11)1-15(12,13)3(7,8)9/h1H2

InChIKey

QBOFWVRRMVGXIG-UHFFFAOYSA-N

Compound name

trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1312
Patents: 279.92987 Da
Monoisotopic Mass: 1.5
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]+	280.93715	143.3
[M+Na]+	302.91909	152.6
[M-H]-	278.92259	136.1
[M+NH4]+	297.96369	158.8
[M+K]+	318.89303	149.1
[M+H-H2O]+	262.92713	134.0
[M+HCOO]-	324.92807	146.3
[M+CH3COO]-	338.94372	188.7
[M+Na-2H]-	300.90454	147.0
[M]+	279.92932	138.9
[M]-	279.93042	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe