CID 179504

1,1,1-trifluoro-n,n-dimethylmethanesulfonamide

Structural Information

Molecular Formula

C₃H₆F₃NO₂S

SMILES

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

InChI

InChI=1S/C3H6F3NO2S/c1-7(2)10(8,9)3(4,5)6/h1-2H3

InChIKey

GSIWUFBWQIELGP-UHFFFAOYSA-N

Compound name

1,1,1-trifluoro-N,N-dimethylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 177.00714 Da
Monoisotopic Mass: 0.7
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]+	178.01442	139.0
[M+Na]+	199.99636	144.6
[M+NH4]+	195.04096	143.7
[M+K]+	215.97030	140.6
[M-H]-	175.99986	133.1
[M+Na-2H]-	197.98181	139.7
[M]+	177.00659	138.1
[M]-	177.00769	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe