CID 2757394

680617-88-3

Structural Information

Molecular Formula
C15H13Cl2NO4S
SMILES
CCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C15H13Cl2NO4S/c1-2-22-13-8-7-12(9-14(13)23(17,20)21)18-15(19)10-3-5-11(16)6-4-10/h3-9H,2H2,1H3,(H,18,19)
InChIKey
XSDRDPBHLIDKQA-UHFFFAOYSA-N
Compound name
5-[(4-chlorobenzoyl)amino]-2-ethoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.99423 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.001506 177.5
[M+Na]+ 395.983448 186.9
[M-H]- 371.986954 184.6
[M+NH4]+ 391.028053 191.4
[M+K]+ 411.957388 180.7
[M+H-H2O]+ 355.991490 172.1
[M+HCOO]- 417.992431 186.8
[M+CH3COO]- 432.008081 211.5
[M+Na-2H]- 393.968896 179.7
[M]+ 372.99368142 185.4
[M]- 372.99477858 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.