CID 2368808

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

Structural Information

Molecular Formula
C15H13Cl2NO5S
SMILES
CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl
InChI
InChI=1S/C15H13Cl2NO5S/c1-2-23-10-5-3-9(4-6-10)18-24(21,22)14-7-11(15(19)20)12(16)8-13(14)17/h3-8,18H,2H2,1H3,(H,19,20)
InChIKey
UBECYVCXPYMEHH-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.98914 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.99642 178.8
[M+Na]+ 411.97836 188.1
[M-H]- 387.98186 184.8
[M+NH4]+ 407.02296 191.5
[M+K]+ 427.95230 182.1
[M+H-H2O]+ 371.98640 173.9
[M+HCOO]- 433.98734 186.8
[M+CH3COO]- 448.00299 213.3
[M+Na-2H]- 409.96381 180.5
[M]+ 388.98859 186.8
[M]- 388.98969 186.8
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.