CID 6452844

2-naphthalenecarboxylic acid, phenylmethyl ester

Structural Information

Molecular Formula
C18H14O2
SMILES
C1=CC=C(C=C1)COC(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H14O2/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2
InChIKey
NNHOWTWENRJEMQ-UHFFFAOYSA-N
Compound name
benzyl naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

262.09937 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10665 159.3
[M+Na]+ 285.08859 166.4
[M-H]- 261.09209 166.6
[M+NH4]+ 280.13319 176.4
[M+K]+ 301.06253 161.9
[M+H-H2O]+ 245.09663 151.1
[M+HCOO]- 307.09757 181.7
[M+CH3COO]- 321.11322 171.5
[M+Na-2H]- 283.07404 166.4
[M]+ 262.09882 160.1
[M]- 262.09992 160.1
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