CID 986650

88522-33-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.99423 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.00151 177.5
[M+Na]+ 395.98345 186.9
[M-H]- 371.98695 184.6
[M+NH4]+ 391.02805 191.4
[M+K]+ 411.95739 180.7
[M+H-H2O]+ 355.99149 172.1
[M+HCOO]- 417.99243 186.8
[M+CH3COO]- 432.00808 211.5
[M+Na-2H]- 393.96890 179.7
[M]+ 372.99368 185.4
[M]- 372.99478 185.4
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.