CID 77052

2'-hydroxy-3-phenylpropiophenone

Structural Information

Molecular Formula
C15H14O2
SMILES
C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C15H14O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKey
JCPGMXJLFWGRMZ-UHFFFAOYSA-N
Compound name
1-(2-hydroxyphenyl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

1793
Patents

226.09938 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 150.3
[M+Na]+ 249.08860 157.0
[M-H]- 225.09210 155.6
[M+NH4]+ 244.13320 167.4
[M+K]+ 265.06254 152.9
[M+H-H2O]+ 209.09664 143.2
[M+HCOO]- 271.09758 172.5
[M+CH3COO]- 285.11323 187.7
[M+Na-2H]- 247.07405 155.5
[M]+ 226.09883 149.8
[M]- 226.09993 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.