CID 77519172

Phenylazoresorcinol

Structural Information

Molecular Formula
C18H14N2O4
SMILES
C1=CC=C(C=C1)C2=C(C=CC=C2O/N=N/OC3=CC=CC(=C3)O)O
InChI
InChI=1S/C18H14N2O4/c21-14-8-4-9-15(12-14)23-19-20-24-17-11-5-10-16(22)18(17)13-6-2-1-3-7-13/h1-12,21-22H/b20-19+
InChIKey
KVQRGKQWGHNYJE-FMQUCBEESA-N
Compound name
3-[(E)-(3-hydroxyphenoxy)diazenyl]oxy-2-phenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.09537 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.102646 171.0
[M+Na]+ 345.084588 178.0
[M-H]- 321.088094 181.2
[M+NH4]+ 340.129193 183.9
[M+K]+ 361.058528 174.6
[M+H-H2O]+ 305.092630 161.0
[M+HCOO]- 367.093571 198.2
[M+CH3COO]- 381.109221 210.5
[M+Na-2H]- 343.070036 178.3
[M]+ 322.09482142 173.3
[M]- 322.09591858 173.3
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.