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

13
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

literature stripe

Patent stripe

patents stripe