CID 13266240

N-(p-chlorobenzoyl)sulfamate sodium salt monohydrate

Structural Information

Molecular Formula
C7H6ClNO4S
SMILES
C1=CC(=CC=C1C(=O)NS(=O)(=O)O)Cl
InChI
InChI=1S/C7H6ClNO4S/c8-6-3-1-5(2-4-6)7(10)9-14(11,12)13/h1-4H,(H,9,10)(H,11,12,13)
InChIKey
UNWPWLODHYFURA-UHFFFAOYSA-N
Compound name
(4-chlorobenzoyl)sulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

234.97061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.97789 145.7
[M+Na]+ 257.95983 156.1
[M+NH4]+ 253.00443 152.3
[M+K]+ 273.93377 150.4
[M-H]- 233.96333 145.3
[M+Na-2H]- 255.94528 150.3
[M]+ 234.97006 147.5
[M]- 234.97116 147.5
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