CID 78583

4867-02-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

230.06914 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 146.9
[M+Na]+ 253.05836 155.1
[M-H]- 229.06186 153.3
[M+NH4]+ 248.10296 163.7
[M+K]+ 269.03230 151.9
[M+H-H2O]+ 213.06640 139.5
[M+HCOO]- 275.06734 173.3
[M+CH3COO]- 289.08299 191.8
[M+Na-2H]- 251.04381 154.2
[M]+ 230.06859 146.7
[M]- 230.06969 146.7
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