CID 12919367

N-methyl-n-propylsulfamoyl chloride

Structural Information

Molecular Formula
C4H10ClNO2S
SMILES
CCCN(C)S(=O)(=O)Cl
InChI
InChI=1S/C4H10ClNO2S/c1-3-4-6(2)9(5,7)8/h3-4H2,1-2H3
InChIKey
MHIVSJQHEDZPPG-UHFFFAOYSA-N
Compound name
N-methyl-N-propylsulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

171.01208 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.01936 130.6
[M+Na]+ 194.00130 139.4
[M-H]- 170.00480 133.1
[M+NH4]+ 189.04590 152.9
[M+K]+ 209.97524 137.8
[M+H-H2O]+ 154.00934 127.0
[M+HCOO]- 216.01028 145.8
[M+CH3COO]- 230.02593 179.7
[M+Na-2H]- 191.98675 135.0
[M]+ 171.01153 136.3
[M]- 171.01263 136.3
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

patents stripe