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

118
Patents

177.00714 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe