CID 14438418

114804-77-2

Structural Information

Molecular Formula
C18H14O3
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=C(C=C3)C(=O)O
InChI
InChI=1S/C18H14O3/c19-18(20)16-7-6-15-11-17(9-8-14(15)10-16)21-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20)
InChIKey
ZAMRNNPFCAMROT-UHFFFAOYSA-N
Compound name
6-phenylmethoxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

278.0943 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 162.3
[M+Na]+ 301.08352 169.7
[M-H]- 277.08702 168.6
[M+NH4]+ 296.12812 178.2
[M+K]+ 317.05746 165.0
[M+H-H2O]+ 261.09156 154.3
[M+HCOO]- 323.09250 183.3
[M+CH3COO]- 337.10815 197.7
[M+Na-2H]- 299.06897 168.3
[M]+ 278.09375 163.2
[M]- 278.09485 163.2
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

No patent data available for this compound.