CID 2827322

4-(4-methylphenylazo)phenol

Structural Information

Molecular Formula
C13H12N2O
SMILES
CC1=CC=C(C=C1)N=NC2=CC=C(C=C2)O
InChI
InChI=1S/C13H12N2O/c1-10-2-4-11(5-3-10)14-15-12-6-8-13(16)9-7-12/h2-9,16H,1H3
InChIKey
PLPWYNVDCPPLMM-UHFFFAOYSA-N
Compound name
4-[(4-methylphenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

92
Patents

212.09496 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.102236 144.7
[M+Na]+ 235.084178 152.8
[M-H]- 211.087684 153.3
[M+NH4]+ 230.128783 163.6
[M+K]+ 251.058118 149.8
[M+H-H2O]+ 195.092220 136.9
[M+HCOO]- 257.093161 173.5
[M+CH3COO]- 271.108811 194.2
[M+Na-2H]- 233.069626 153.2
[M]+ 212.09441142 145.4
[M]- 212.09550858 145.4
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