CID 10632999

1-(4-phenoxyphenyl)propan-1-one

Structural Information

Molecular Formula
C15H14O2
SMILES
CCC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C15H14O2/c1-2-15(16)12-8-10-14(11-9-12)17-13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKey
NFDZCBGGPZINEI-UHFFFAOYSA-N
Compound name
1-(4-phenoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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 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

No literature data available for this compound.

Patent stripe

patents stripe