CID 66794

2-chloro-5-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C7H6ClNO4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)C(=O)O)Cl
InChI
InChI=1S/C7H6ClNO4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,(H,10,11)(H2,9,12,13)
InChIKey
LWDSANAOYPHQAW-UHFFFAOYSA-N
Compound name
2-chloro-5-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

140
Patents

234.97061 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.977886 142.4
[M+Na]+ 257.959828 152.1
[M-H]- 233.963334 145.3
[M+NH4]+ 253.004433 160.4
[M+K]+ 273.933768 147.6
[M+H-H2O]+ 217.967870 138.4
[M+HCOO]- 279.968811 155.4
[M+CH3COO]- 293.984461 184.0
[M+Na-2H]- 255.945276 145.4
[M]+ 234.97006142 145.2
[M]- 234.97115858 145.2
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