CID 853079

4-chloro-3-(dimethylsulfamoyl)benzoic acid

Structural Information

Molecular Formula
C9H10ClNO4S
SMILES
CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl
InChI
InChI=1S/C9H10ClNO4S/c1-11(2)16(14,15)8-5-6(9(12)13)3-4-7(8)10/h3-5H,1-2H3,(H,12,13)
InChIKey
YMPQIPORTHDIJK-UHFFFAOYSA-N
Compound name
4-chloro-3-(dimethylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

263.0019 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00918 149.8
[M+Na]+ 285.99112 158.8
[M-H]- 261.99462 154.5
[M+NH4]+ 281.03572 167.6
[M+K]+ 301.96506 155.8
[M+H-H2O]+ 245.99916 145.3
[M+HCOO]- 308.00010 163.3
[M+CH3COO]- 322.01575 193.9
[M+Na-2H]- 283.97657 152.4
[M]+ 263.00135 155.7
[M]- 263.00245 155.7
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