CID 94799

2496-25-5

Structural Information

Molecular Formula
C13H12N2O2
SMILES
COC1=CC=C(C=C1)N=NC2=CC=C(C=C2)O
InChI
InChI=1S/C13H12N2O2/c1-17-13-8-4-11(5-9-13)15-14-10-2-6-12(16)7-3-10/h2-9,16H,1H3
InChIKey
WEFGJDSWBHPXOK-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

36
Patents

228.08987 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.097146 147.9
[M+Na]+ 251.079088 155.8
[M-H]- 227.082594 156.5
[M+NH4]+ 246.123693 166.0
[M+K]+ 267.053028 153.4
[M+H-H2O]+ 211.087130 139.8
[M+HCOO]- 273.088071 176.8
[M+CH3COO]- 287.103721 196.3
[M+Na-2H]- 249.064536 156.3
[M]+ 228.08932142 149.9
[M]- 228.09041858 149.9
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