CID 75620

Benzoic acid, 4-[(4-hydroxyphenyl)azo]-

Structural Information

Molecular Formula
C13H10N2O3
SMILES
C1=CC(=CC=C1C(=O)O)N=NC2=CC=C(C=C2)O
InChI
InChI=1S/C13H10N2O3/c16-12-7-5-11(6-8-12)15-14-10-3-1-9(2-4-10)13(17)18/h1-8,16H,(H,17,18)
InChIKey
HLVCZTOFOWHIJZ-UHFFFAOYSA-N
Compound name
4-[(4-hydroxyphenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

130
Patents

242.06914 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07642 150.5
[M+Na]+ 265.05836 157.8
[M-H]- 241.06186 157.8
[M+NH4]+ 260.10296 167.1
[M+K]+ 281.03230 155.1
[M+H-H2O]+ 225.06640 142.6
[M+HCOO]- 287.06734 177.3
[M+CH3COO]- 301.08299 196.1
[M+Na-2H]- 263.04381 157.3
[M]+ 242.06859 150.7
[M]- 242.06969 150.7
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