CID 11215049

Trifluoro(methanesulfonyl)methane

Structural Information

Molecular Formula

C₂H₃F₃O₂S

SMILES

CS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C2H3F3O2S/c1-8(6,7)2(3,4)5/h1H3

InChIKey

ARUIMKUOHIINGI-UHFFFAOYSA-N

Compound name

trifluoro(methylsulfonyl)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3147
Patents: 147.98059 Da
Monoisotopic Mass: 0.8
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]+	148.98787	118.6
[M+Na]+	170.96981	128.8
[M-H]-	146.97331	116.1
[M+NH4]+	166.01441	140.5
[M+K]+	186.94375	127.7
[M+H-H2O]+	130.97785	112.6
[M+HCOO]-	192.97879	132.9
[M+CH3COO]-	206.99444	169.6
[M+Na-2H]-	168.95526	123.9
[M]+	147.98004	117.2
[M]-	147.98114	117.2

Literature stripe

literature stripe

Patent stripe

patents stripe