CID 136404

607-58-9

Structural Information

Molecular Formula
C17H14O
SMILES
C1=CC=C(C=C1)COC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C17H14O/c1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
InChIKey
JWSWULLEVAMIJK-UHFFFAOYSA-N
Compound name
1-phenylmethoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1748
Patents

234.10446 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11174 151.7
[M+Na]+ 257.09368 159.4
[M-H]- 233.09718 159.1
[M+NH4]+ 252.13828 170.1
[M+K]+ 273.06762 154.5
[M+H-H2O]+ 217.10172 143.8
[M+HCOO]- 279.10266 175.1
[M+CH3COO]- 293.11831 164.6
[M+Na-2H]- 255.07913 160.6
[M]+ 234.10391 152.2
[M]- 234.10501 152.2
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