CID 69095

607-96-5

Structural Information

Molecular Formula
C13H11N3O4
SMILES
CC1=CC(=CC(=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])O)O
InChI
InChI=1S/C13H11N3O4/c1-8-6-11(17)7-12(18)13(8)15-14-9-2-4-10(5-3-9)16(19)20/h2-7,17-18H,1H3
InChIKey
XDOOUKIUNUWEFT-UHFFFAOYSA-N
Compound name
5-methyl-4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

273.07495 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08223 158.5
[M+Na]+ 296.06417 172.1
[M+NH4]+ 291.10877 165.6
[M+K]+ 312.03811 168.6
[M-H]- 272.06767 164.5
[M+Na-2H]- 294.04962 166.5
[M]+ 273.07440 161.9
[M]- 273.07550 161.9
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

patents stripe