CID 5225749

N-(2-hydroxy-4-nitrophenyl)benzenesulfonamide

Structural Information

Molecular Formula
C12H10N2O5S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C12H10N2O5S/c15-12-8-9(14(16)17)6-7-11(12)13-20(18,19)10-4-2-1-3-5-10/h1-8,13,15H
InChIKey
NJLNHUHLXNVVBG-UHFFFAOYSA-N
Compound name
N-(2-hydroxy-4-nitrophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

294.03104 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.03832 157.3
[M+Na]+ 317.02026 169.5
[M+NH4]+ 312.06486 163.9
[M+K]+ 332.99420 165.8
[M-H]- 293.02376 161.2
[M+Na-2H]- 315.00571 164.9
[M]+ 294.03049 160.4
[M]- 294.03159 160.4
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