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]+ 172.019356 130.6
[M+Na]+ 194.001298 139.4
[M-H]- 170.004804 133.1
[M+NH4]+ 189.045903 152.9
[M+K]+ 209.975238 137.8
[M+H-H2O]+ 154.009340 127.0
[M+HCOO]- 216.010281 145.8
[M+CH3COO]- 230.025931 179.7
[M+Na-2H]- 191.986746 135.0
[M]+ 171.01153142 136.3
[M]- 171.01262858 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