CID 81680

Phenyl 3-hydroxy-2-naphthoate

Structural Information

Molecular Formula
C17H12O3
SMILES
C1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3C=C2O
InChI
InChI=1S/C17H12O3/c18-16-11-13-7-5-4-6-12(13)10-15(16)17(19)20-14-8-2-1-3-9-14/h1-11,18H
InChIKey
SRMZHGJLSDITLO-UHFFFAOYSA-N
Compound name
phenyl 3-hydroxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

153
Patents

264.07864 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08592 157.8
[M+Na]+ 287.06786 165.7
[M-H]- 263.07136 164.4
[M+NH4]+ 282.11246 174.4
[M+K]+ 303.04180 161.4
[M+H-H2O]+ 247.07590 150.1
[M+HCOO]- 309.07684 179.2
[M+CH3COO]- 323.09249 170.0
[M+Na-2H]- 285.05331 164.4
[M]+ 264.07809 158.4
[M]- 264.07919 158.4
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