CID 118612

34191-31-6

Structural Information

Molecular Formula
C13H12N2O2
SMILES
CC1=CC=CC=C1N=NC2=C(C=C(C=C2)O)O
InChI
InChI=1S/C13H12N2O2/c1-9-4-2-3-5-11(9)14-15-12-7-6-10(16)8-13(12)17/h2-8,16-17H,1H3
InChIKey
VIXGTWBKPFCGSF-UHFFFAOYSA-N
Compound name
4-[(2-methylphenyl)diazenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.08987 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 148.3
[M+Na]+ 251.07909 156.7
[M-H]- 227.08259 155.9
[M+NH4]+ 246.12369 166.1
[M+K]+ 267.05303 153.5
[M+H-H2O]+ 211.08713 140.7
[M+HCOO]- 273.08807 175.8
[M+CH3COO]- 287.10372 195.0
[M+Na-2H]- 249.06454 155.6
[M]+ 228.08932 148.9
[M]- 228.09042 148.9
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

No patent data available for this compound.