CID 60997

P-tolyl phenylacetate

Structural Information

Molecular Formula
C15H14O2
SMILES
CC1=CC=C(C=C1)OC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
OJEQSSJFSNLMLB-UHFFFAOYSA-N
Compound name
(4-methylphenyl) 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

2242
Patents

226.09938 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 150.1
[M+Na]+ 249.08860 157.3
[M-H]- 225.09210 156.8
[M+NH4]+ 244.13320 168.0
[M+K]+ 265.06254 154.2
[M+H-H2O]+ 209.09664 142.7
[M+HCOO]- 271.09758 173.9
[M+CH3COO]- 285.11323 189.6
[M+Na-2H]- 247.07405 155.7
[M]+ 226.09883 151.4
[M]- 226.09993 151.4
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