CID 4989560

726157-10-4

Structural Information

Molecular Formula
C16H13Cl2NO4S
SMILES
C=CCN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl
InChI
InChI=1S/C16H13Cl2NO4S/c1-2-9-19(13-6-4-12(17)5-7-13)24(22,23)15-10-11(16(20)21)3-8-14(15)18/h2-8,10H,1,9H2,(H,20,21)
InChIKey
DCBLWRXMEUMKIG-UHFFFAOYSA-N
Compound name
4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.99423 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.00151 179.8
[M+Na]+ 407.98345 188.5
[M-H]- 383.98695 186.8
[M+NH4]+ 403.02805 193.0
[M+K]+ 423.95739 182.2
[M+H-H2O]+ 367.99149 174.5
[M+HCOO]- 429.99243 187.9
[M+CH3COO]- 444.00808 215.1
[M+Na-2H]- 405.96890 180.6
[M]+ 384.99368 187.0
[M]- 384.99478 187.0
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.