CID 69905028

67503-46-2

Structural Information

Molecular Formula
C18H14N2O4
SMILES
C1=CC=C(C=C1)C2=C(C=CC=C2ON=NOC3=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
InChIKey
KVQRGKQWGHNYJE-UHFFFAOYSA-N
Compound name
3-[(3-hydroxyphenoxy)diazenyl]oxy-2-phenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

322.09537 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10265 171.0
[M+Na]+ 345.08459 178.0
[M-H]- 321.08809 181.2
[M+NH4]+ 340.12919 183.9
[M+K]+ 361.05853 174.6
[M+H-H2O]+ 305.09263 161.0
[M+HCOO]- 367.09357 198.2
[M+CH3COO]- 381.10922 210.5
[M+Na-2H]- 343.07004 178.3
[M]+ 322.09482 173.3
[M]- 322.09592 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

patents stripe