CID 3764062

4-chloro-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C14H11ClN2O7S
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl
InChI
InChI=1S/C14H11ClN2O7S/c1-24-12-5-3-9(17(20)21)7-11(12)16-25(22,23)13-6-8(14(18)19)2-4-10(13)15/h2-7,16H,1H3,(H,18,19)
InChIKey
AHLPHWFEPUMSIJ-UHFFFAOYSA-N
Compound name
4-chloro-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.99756 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.00484 177.6
[M+Na]+ 408.98678 189.4
[M+NH4]+ 404.03138 182.4
[M+K]+ 424.96072 186.5
[M-H]- 384.99028 179.9
[M+Na-2H]- 406.97223 183.1
[M]+ 385.99701 180.3
[M]- 385.99811 180.3
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

No patent data available for this compound.