CID 504536

1-naphthyl salicylate

Structural Information

Molecular Formula
C17H12O3
SMILES
C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C17H12O3/c18-15-10-4-3-9-14(15)17(19)20-16-11-5-7-12-6-1-2-8-13(12)16/h1-11,18H
InChIKey
CVRCFLFEGNKMEC-UHFFFAOYSA-N
Compound name
naphthalen-1-yl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3043
Patents

264.07864 Da
Monoisotopic Mass

4.6
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

literature stripe

Patent stripe

patents stripe