CID 11253125

2-(benzyloxy)-1-phenylethan-1-one

Structural Information

Molecular Formula
C15H14O2
SMILES
C1=CC=C(C=C1)COCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey
MRSDBRAGNWAUPL-UHFFFAOYSA-N
Compound name
1-phenyl-2-phenylmethoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

226.09938 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.106656 150.5
[M+Na]+ 249.088598 156.6
[M-H]- 225.092104 156.7
[M+NH4]+ 244.133203 167.9
[M+K]+ 265.062538 153.4
[M+H-H2O]+ 209.096640 142.8
[M+HCOO]- 271.097581 174.2
[M+CH3COO]- 285.113231 189.1
[M+Na-2H]- 247.074046 156.8
[M]+ 226.09883142 151.3
[M]- 226.09992858 151.3
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