CID 3559326

2'-hydroxy-4'-nitro-p-toluenesulfonanilide

Structural Information

Molecular Formula
C13H12N2O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C13H12N2O5S/c1-9-2-5-11(6-3-9)21(19,20)14-12-7-4-10(15(17)18)8-13(12)16/h2-8,14,16H,1H3
InChIKey
WDJRRDHEWSSLQC-UHFFFAOYSA-N
Compound name
N-(2-hydroxy-4-nitrophenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0467 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05398 163.2
[M+Na]+ 331.03592 169.8
[M-H]- 307.03942 169.1
[M+NH4]+ 326.08052 176.2
[M+K]+ 347.00986 161.4
[M+H-H2O]+ 291.04396 160.2
[M+HCOO]- 353.04490 182.4
[M+CH3COO]- 367.06055 194.7
[M+Na-2H]- 329.02137 170.1
[M]+ 308.04615 163.0
[M]- 308.04725 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.