CID 5885438

Nsc636810

Structural Information

Molecular Formula
C15H12O3
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)C2=CC(=CC=C2)O)O
InChI
InChI=1S/C15H12O3/c16-13-6-3-5-12(10-13)15(18)9-8-11-4-1-2-7-14(11)17/h1-10,16-17H/b9-8+
InChIKey
KAMRNYCNWDARJA-CMDGGOBGSA-N
Compound name
(E)-3-(2-hydroxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

240.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 152.6
[M+Na]+ 263.06786 160.0
[M-H]- 239.07136 156.9
[M+NH4]+ 258.11246 168.6
[M+K]+ 279.04180 155.2
[M+H-H2O]+ 223.07590 145.8
[M+HCOO]- 285.07684 173.7
[M+CH3COO]- 299.09249 187.0
[M+Na-2H]- 261.05331 156.6
[M]+ 240.07809 151.3
[M]- 240.07919 151.3
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

No patent data available for this compound.