CID 5754790

331275-28-6

Structural Information

Molecular Formula
C18H18O2
SMILES
CC(C)C1=CC=C(C=C1)C(=O)/C=C(/C2=CC=CC=C2)\O
InChI
InChI=1S/C18H18O2/c1-13(2)14-8-10-16(11-9-14)18(20)12-17(19)15-6-4-3-5-7-15/h3-13,19H,1-2H3/b17-12-
InChIKey
XXXPDVBEABWMIF-ATVHPVEESA-N
Compound name
(Z)-3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

266.13068 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 163.0
[M+Na]+ 289.11990 168.1
[M-H]- 265.12340 167.9
[M+NH4]+ 284.16450 178.2
[M+K]+ 305.09384 163.8
[M+H-H2O]+ 249.12794 155.7
[M+HCOO]- 311.12888 182.4
[M+CH3COO]- 325.14453 197.0
[M+Na-2H]- 287.10535 164.1
[M]+ 266.13013 161.5
[M]- 266.13123 161.5
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