CID 7640

103-18-4

Structural Information

Molecular Formula
C12H11N3O
SMILES
C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)O
InChI
InChI=1S/C12H11N3O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H,13H2
InChIKey
NCKPQOUTAMSEAO-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

99
Patents

213.09021 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.09749 144.0
[M+Na]+ 236.07943 151.6
[M-H]- 212.08293 152.2
[M+NH4]+ 231.12403 162.2
[M+K]+ 252.05337 148.6
[M+H-H2O]+ 196.08747 136.0
[M+HCOO]- 258.08841 173.5
[M+CH3COO]- 272.10406 195.6
[M+Na-2H]- 234.06488 152.4
[M]+ 213.08966 142.6
[M]- 213.09076 142.6
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.