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
1
Annotation Hits

0
References

126
Patents

234.97061 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.97789 145.7
[M+Na]+ 257.95983 156.2
[M+NH4]+ 253.00443 152.2
[M+K]+ 273.93377 150.9
[M-H]- 233.96333 145.3
[M+Na-2H]- 255.94528 149.7
[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

literature stripe

Patent stripe

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