CID 720767

N-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide

Structural Information

Molecular Formula
C12H10N2O4S
SMILES
C1=CC(=CC=C1NS(=O)C2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C12H10N2O4S/c15-11-5-1-9(2-6-11)13-19(18)12-7-3-10(4-8-12)14(16)17/h1-8,13,15H
InChIKey
BROPCYYYAITPIA-UHFFFAOYSA-N
Compound name
N-(4-hydroxyphenyl)-4-nitrobenzenesulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.03613 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.043406 155.3
[M+Na]+ 301.025348 160.9
[M-H]- 277.028854 160.9
[M+NH4]+ 296.069953 169.3
[M+K]+ 316.999288 152.7
[M+H-H2O]+ 261.033390 152.2
[M+HCOO]- 323.034331 175.0
[M+CH3COO]- 337.049981 189.7
[M+Na-2H]- 299.010796 160.7
[M]+ 278.03558142 153.7
[M]- 278.03667858 153.7
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.