CID 13266240

Sulfamic acid, (4-chlorobenzoyl)-, sodium salt, hydrate (1:1:1)

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]+ 235.977886 142.7
[M+Na]+ 257.959828 151.7
[M-H]- 233.963334 145.8
[M+NH4]+ 253.004433 160.7
[M+K]+ 273.933768 147.5
[M+H-H2O]+ 217.967870 138.4
[M+HCOO]- 279.968811 156.4
[M+CH3COO]- 293.984461 182.7
[M+Na-2H]- 255.945276 147.4
[M]+ 234.97006142 146.0
[M]- 234.97115858 146.0
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