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 170.8
[M+Na]+ 375.02575 181.5
[M+NH4]+ 370.07035 175.3
[M+K]+ 390.99969 179.3
[M-H]- 351.02925 173.0
[M+Na-2H]- 373.01120 176.5
[M]+ 352.03598 172.9
[M]- 352.03708 172.9
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.