CID 448622

2-((4'-hydroxynaphthyl)-azo)benzoic acid

Structural Information

Molecular Formula
C17H12N2O3
SMILES
C1=CC=C2C(=C1)C(=CC=C2O)N=NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C17H12N2O3/c20-16-10-9-15(11-5-1-2-6-12(11)16)19-18-14-8-4-3-7-13(14)17(21)22/h1-10,20H,(H,21,22)
InChIKey
SXAUIPSOPPASFY-UHFFFAOYSA-N
Compound name
2-[(4-hydroxynaphthalen-1-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

292.08478 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09206 163.3
[M+Na]+ 315.07400 171.0
[M-H]- 291.07750 171.4
[M+NH4]+ 310.11860 178.9
[M+K]+ 331.04794 167.1
[M+H-H2O]+ 275.08204 154.8
[M+HCOO]- 337.08298 188.4
[M+CH3COO]- 351.09863 207.2
[M+Na-2H]- 313.05945 170.7
[M]+ 292.08423 164.1
[M]- 292.08533 164.1
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