CID 10931700

1-chloro-n,n-dimethylmethanesulfonamide

Structural Information

Molecular Formula
C3H8ClNO2S
SMILES
CN(C)S(=O)(=O)CCl
InChI
InChI=1S/C3H8ClNO2S/c1-5(2)8(6,7)3-4/h3H2,1-2H3
InChIKey
ZXITUKQGFPKRMS-UHFFFAOYSA-N
Compound name
1-chloro-N,N-dimethylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

156.99643 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.00371 126.1
[M+Na]+ 179.98565 135.2
[M-H]- 155.98915 128.7
[M+NH4]+ 175.03025 148.8
[M+K]+ 195.95959 133.9
[M+H-H2O]+ 139.99369 122.6
[M+HCOO]- 201.99463 141.5
[M+CH3COO]- 216.01028 176.7
[M+Na-2H]- 177.97110 130.9
[M]+ 156.99588 131.3
[M]- 156.99698 131.3
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.