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]+ 353.043806 172.4
[M+Na]+ 375.025748 177.6
[M-H]- 351.029254 177.9
[M+NH4]+ 370.070353 182.9
[M+K]+ 390.999688 170.3
[M+H-H2O]+ 335.033790 168.7
[M+HCOO]- 397.034731 190.5
[M+CH3COO]- 411.050381 202.0
[M+Na-2H]- 373.011196 178.6
[M]+ 352.03598142 173.7
[M]- 352.03707858 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.