CID 3846708

54381-08-7

Structural Information

Molecular Formula
C12H10N2O3
SMILES
C1=CC=C(C(=C1)NC2=CC=C(C=C2)O)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O3/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17/h1-8,13,15H
InChIKey
HSDSBIUUVWRHTM-UHFFFAOYSA-N
Compound name
4-(2-nitroanilino)phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

3978
Patents

230.06914 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 146.1
[M+Na]+ 253.05836 152.4
[M-H]- 229.06186 151.9
[M+NH4]+ 248.10296 162.0
[M+K]+ 269.03230 144.9
[M+H-H2O]+ 213.06640 143.3
[M+HCOO]- 275.06734 171.9
[M+CH3COO]- 289.08299 183.9
[M+Na-2H]- 251.04381 154.8
[M]+ 230.06859 143.0
[M]- 230.06969 143.0
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

patents stripe