CID 72941509

15156-56-6

Structural Information

Molecular Formula
C18H16O2
SMILES
C1C(CC(=O)C=C1C2=CC=CC=C2O)C3=CC=CC=C3
InChI
InChI=1S/C18H16O2/c19-16-11-14(13-6-2-1-3-7-13)10-15(12-16)17-8-4-5-9-18(17)20/h1-9,12,14,20H,10-11H2
InChIKey
LVBFZATWXZBJHG-UHFFFAOYSA-N
Compound name
3-(2-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.11502 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12230 160.1
[M+Na]+ 287.10424 166.9
[M-H]- 263.10774 168.5
[M+NH4]+ 282.14884 175.6
[M+K]+ 303.07818 161.5
[M+H-H2O]+ 247.11228 151.9
[M+HCOO]- 309.11322 180.7
[M+CH3COO]- 323.12887 171.7
[M+Na-2H]- 285.08969 163.9
[M]+ 264.11447 156.5
[M]- 264.11557 156.5
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