CID 11573931

Dtxsid201036454

Structural Information

Molecular Formula
C15H12ClNO5S
SMILES
COC1=CC=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)Cl
InChI
InChI=1S/C15H12ClNO5S/c1-22-13-5-3-2-4-12(13)15(19)17-23(20,21)11-8-6-10(7-9-11)14(16)18/h2-9H,1H3,(H,17,19)
InChIKey
BSPWYRJWVCZIEF-UHFFFAOYSA-N
Compound name
4-[(2-methoxybenzoyl)sulfamoyl]benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

353.01248 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.01976 175.5
[M+Na]+ 376.00170 187.4
[M+NH4]+ 371.04630 181.4
[M+K]+ 391.97564 180.6
[M-H]- 352.00520 177.4
[M+Na-2H]- 373.98715 182.3
[M]+ 353.01193 178.3
[M]- 353.01303 178.3
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

patents stripe