CID 5225749

2'-hydroxy-4'-nitrobenzenesulfonanilide

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 158.7
[M+Na]+ 317.02026 165.0
[M-H]- 293.02376 164.5
[M+NH4]+ 312.06486 172.0
[M+K]+ 332.99420 156.6
[M+H-H2O]+ 277.02830 155.8
[M+HCOO]- 339.02924 178.3
[M+CH3COO]- 353.04489 190.4
[M+Na-2H]- 315.00571 166.7
[M]+ 294.03049 157.8
[M]- 294.03159 157.8
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