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]+ 374.001506 175.8
[M+Na]+ 395.983448 184.8
[M-H]- 371.986954 183.0
[M+NH4]+ 391.028053 189.6
[M+K]+ 411.957388 179.3
[M+H-H2O]+ 355.991490 170.7
[M+HCOO]- 417.992431 184.2
[M+CH3COO]- 432.008081 213.0
[M+Na-2H]- 393.968896 177.2
[M]+ 372.99368142 183.4
[M]- 372.99477858 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.