CID 98689

1-(3-(phenylmethoxy)phenyl)ethan-1-one

Structural Information

Molecular Formula
C15H14O2
SMILES
CC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2
InChI
InChI=1S/C15H14O2/c1-12(16)14-8-5-9-15(10-14)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3
InChIKey
FGQMEAWGAUALJQ-UHFFFAOYSA-N
Compound name
1-(3-phenylmethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
Patents

226.09938 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.106656 149.9
[M+Na]+ 249.088598 157.0
[M-H]- 225.092104 156.6
[M+NH4]+ 244.133203 167.7
[M+K]+ 265.062538 153.9
[M+H-H2O]+ 209.096640 142.5
[M+HCOO]- 271.097581 173.6
[M+CH3COO]- 285.113231 190.2
[M+Na-2H]- 247.074046 155.5
[M]+ 226.09883142 151.2
[M]- 226.09992858 151.2
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