CID 36249

1-(3-phenoxyphenyl)ethanone

Structural Information

Molecular Formula
C14H12O2
SMILES
CC(=O)C1=CC(=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C14H12O2/c1-11(15)12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h2-10H,1H3
InChIKey
FZCDBGYCFVKRDV-UHFFFAOYSA-N
Compound name
1-(3-phenoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

235
Patents

212.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 146.2
[M+Na]+ 235.07294 161.4
[M+NH4]+ 230.11754 155.4
[M+K]+ 251.04688 153.5
[M-H]- 211.07644 151.0
[M+Na-2H]- 233.05839 156.5
[M]+ 212.08317 149.8
[M]- 212.08427 149.8
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