CID 15175081

4-[(3-nitropyridin-2-yl)amino]phenol

Structural Information

Molecular Formula
C11H9N3O3
SMILES
C1=CC(=C(N=C1)NC2=CC=C(C=C2)O)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O3/c15-9-5-3-8(4-6-9)13-11-10(14(16)17)2-1-7-12-11/h1-7,15H,(H,12,13)
InChIKey
JXFQQBURVUFYSH-UHFFFAOYSA-N
Compound name
4-[(3-nitro-2-pyridinyl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

231.06439 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.071666 145.4
[M+Na]+ 254.053608 152.0
[M-H]- 230.057114 149.9
[M+NH4]+ 249.098213 159.8
[M+K]+ 270.027548 144.5
[M+H-H2O]+ 214.061650 141.8
[M+HCOO]- 276.062591 170.2
[M+CH3COO]- 290.078241 183.5
[M+Na-2H]- 252.039056 155.0
[M]+ 231.06384142 142.3
[M]- 231.06493858 142.3
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