CID 15035

1435-60-5

Structural Information

Molecular Formula
C12H9N3O3
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)O)[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O3/c16-12-7-3-10(4-8-12)14-13-9-1-5-11(6-2-9)15(17)18/h1-8,16H
InChIKey
NRJPVIOTANUINF-UHFFFAOYSA-N
Compound name
4-[(4-nitrophenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

108
Patents

243.06439 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07167 148.8
[M+Na]+ 266.05361 155.3
[M-H]- 242.05711 157.2
[M+NH4]+ 261.09821 165.0
[M+K]+ 282.02755 148.9
[M+H-H2O]+ 226.06165 145.0
[M+HCOO]- 288.06259 178.6
[M+CH3COO]- 302.07824 192.5
[M+Na-2H]- 264.03906 158.7
[M]+ 243.06384 147.7
[M]- 243.06494 147.7
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