CID 2356961

4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C14H12N2O7S
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H12N2O7S/c1-23-13-7-4-10(16(19)20)8-12(13)15-24(21,22)11-5-2-9(3-6-11)14(17)18/h2-8,15H,1H3,(H,17,18)
InChIKey
YSLCCHPORMJMFG-UHFFFAOYSA-N
Compound name
4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.03653 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.04381 172.4
[M+Na]+ 375.02575 177.6
[M-H]- 351.02925 177.9
[M+NH4]+ 370.07035 182.9
[M+K]+ 390.99969 170.3
[M+H-H2O]+ 335.03379 168.7
[M+HCOO]- 397.03473 190.5
[M+CH3COO]- 411.05038 202.0
[M+Na-2H]- 373.01120 178.6
[M]+ 352.03598 173.7
[M]- 352.03708 173.7
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

No patent data available for this compound.