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
3
Annotation Hits

0
References

159
Patents

264.07864 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.085916 157.8
[M+Na]+ 287.067858 165.7
[M-H]- 263.071364 164.4
[M+NH4]+ 282.112463 174.4
[M+K]+ 303.041798 161.4
[M+H-H2O]+ 247.075900 150.1
[M+HCOO]- 309.076841 179.2
[M+CH3COO]- 323.092491 170.0
[M+Na-2H]- 285.053306 164.4
[M]+ 264.07809142 158.4
[M]- 264.07918858 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