CID 13591657

N-methyl-n-(2,2,2-trifluoroethyl)sulfamoyl chloride

Structural Information

Molecular Formula
C3H5ClF3NO2S
SMILES
CN(CC(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C3H5ClF3NO2S/c1-8(11(4,9)10)2-3(5,6)7/h2H2,1H3
InChIKey
GSWQBHLLDZEMBB-UHFFFAOYSA-N
Compound name
N-methyl-N-(2,2,2-trifluoroethyl)sulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.96815 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.97543 131.1
[M+Na]+ 233.95737 140.6
[M-H]- 209.96087 129.7
[M+NH4]+ 229.00197 151.5
[M+K]+ 249.93131 138.5
[M+H-H2O]+ 193.96541 125.1
[M+HCOO]- 255.96635 142.0
[M+CH3COO]- 269.98200 184.6
[M+Na-2H]- 231.94282 135.4
[M]+ 210.96760 132.2
[M]- 210.96870 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.