CID 241583

2-phenoxypropiophenone

Structural Information

Molecular Formula
C15H14O2
SMILES
CC(C(=O)C1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C15H14O2/c1-12(17-14-10-6-3-7-11-14)15(16)13-8-4-2-5-9-13/h2-12H,1H3
InChIKey
OPDGCCBFQWSSCQ-UHFFFAOYSA-N
Compound name
2-phenoxy-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

226.09938 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.106656 150.6
[M+Na]+ 249.088598 156.4
[M-H]- 225.092104 156.9
[M+NH4]+ 244.133203 167.9
[M+K]+ 265.062538 153.7
[M+H-H2O]+ 209.096640 143.0
[M+HCOO]- 271.097581 173.2
[M+CH3COO]- 285.113231 190.0
[M+Na-2H]- 247.074046 155.6
[M]+ 226.09883142 150.8
[M]- 226.09992858 150.8
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