CID 13398949

N-propylsulfamoyl chloride

Structural Information

Molecular Formula
C3H8ClNO2S
SMILES
CCCNS(=O)(=O)Cl
InChI
InChI=1S/C3H8ClNO2S/c1-2-3-5-8(4,6)7/h5H,2-3H2,1H3
InChIKey
GVTQDHSVABMRGE-UHFFFAOYSA-N
Compound name
N-propylsulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

156.99643 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.00371 126.8
[M+Na]+ 179.98565 135.8
[M-H]- 155.98915 127.9
[M+NH4]+ 175.03025 148.9
[M+K]+ 195.95959 133.0
[M+H-H2O]+ 139.99369 123.5
[M+HCOO]- 201.99463 141.8
[M+CH3COO]- 216.01028 173.2
[M+Na-2H]- 177.97110 132.3
[M]+ 156.99588 130.7
[M]- 156.99698 130.7
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