CID 2368812

2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C15H13Cl2NO4S
SMILES
CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl
InChI
InChI=1S/C15H13Cl2NO4S/c1-2-18(10-6-4-3-5-7-10)23(21,22)14-8-11(15(19)20)12(16)9-13(14)17/h3-9H,2H2,1H3,(H,19,20)
InChIKey
CORSFTBSWCQVSQ-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.99423 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.00151 175.8
[M+Na]+ 395.98345 184.8
[M-H]- 371.98695 183.0
[M+NH4]+ 391.02805 189.6
[M+K]+ 411.95739 179.3
[M+H-H2O]+ 355.99149 170.7
[M+HCOO]- 417.99243 184.2
[M+CH3COO]- 432.00808 213.0
[M+Na-2H]- 393.96890 177.2
[M]+ 372.99368 183.4
[M]- 372.99478 183.4
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

No patent data available for this compound.