CID 14568

4-chloro-3-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C7H6ClNO4S
SMILES
C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Cl
InChI
InChI=1S/C7H6ClNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)
InChIKey
FHQAWINGVCDTTG-UHFFFAOYSA-N
Compound name
4-chloro-3-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

366
Patents

234.97061 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.97789 142.4
[M+Na]+ 257.95983 152.1
[M-H]- 233.96333 145.3
[M+NH4]+ 253.00443 160.4
[M+K]+ 273.93377 147.6
[M+H-H2O]+ 217.96787 138.4
[M+HCOO]- 279.96881 155.4
[M+CH3COO]- 293.98446 184.0
[M+Na-2H]- 255.94528 145.4
[M]+ 234.97006 145.2
[M]- 234.97116 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