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]+ 279.04341 155.3
[M+Na]+ 301.02535 160.9
[M-H]- 277.02885 160.9
[M+NH4]+ 296.06995 169.3
[M+K]+ 316.99929 152.7
[M+H-H2O]+ 261.03339 152.2
[M+HCOO]- 323.03433 175.0
[M+CH3COO]- 337.04998 189.7
[M+Na-2H]- 299.01080 160.7
[M]+ 278.03558 153.7
[M]- 278.03668 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.