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

79
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

literature stripe

Patent stripe

patents stripe