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: 122
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	126.6
[M+Na]+	199.99636	135.5
[M-H]-	175.99986	125.2
[M+NH4]+	195.04096	147.5
[M+K]+	215.97030	135.4
[M+H-H2O]+	160.00440	119.7
[M+HCOO]-	222.00534	141.9
[M+CH3COO]-	236.02099	180.8
[M+Na-2H]-	197.98181	131.2
[M]+	177.00659	125.9
[M]-	177.00769	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe