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]+ 229.097146 148.3
[M+Na]+ 251.079088 156.7
[M-H]- 227.082594 155.9
[M+NH4]+ 246.123693 166.1
[M+K]+ 267.053028 153.5
[M+H-H2O]+ 211.087130 140.7
[M+HCOO]- 273.088071 175.8
[M+CH3COO]- 287.103721 195.0
[M+Na-2H]- 249.064536 155.6
[M]+ 228.08932142 148.9
[M]- 228.09041858 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.