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

39
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 174.2
[M+Na]+ 376.00170 182.2
[M-H]- 352.00520 181.5
[M+NH4]+ 371.04630 187.8
[M+K]+ 391.97564 177.6
[M+H-H2O]+ 336.00974 167.7
[M+HCOO]- 398.01068 187.8
[M+CH3COO]- 412.02633 208.4
[M+Na-2H]- 373.98715 177.0
[M]+ 353.01193 180.7
[M]- 353.01303 180.7
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