CID 9526

Methyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₂H₃F₃O₃S

SMILES

COS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3

InChIKey

OIRDBPQYVWXNSJ-UHFFFAOYSA-N

Compound name

methyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 107
References: 16019
Patents: 163.9755 Da
Monoisotopic Mass: 0.9
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]+	164.982776	122.0
[M+Na]+	186.964718	132.0
[M-H]-	162.968224	119.4
[M+NH4]+	182.009323	143.1
[M+K]+	202.938658	131.4
[M+H-H2O]+	146.972760	115.8
[M+HCOO]-	208.973701	136.5
[M+CH3COO]-	222.989351	171.6
[M+Na-2H]-	184.950166	127.5
[M]+	163.97495142	122.0
[M]-	163.97604858	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe