CID 5357218

1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one

Structural Information

Molecular Formula
C15H12O3
SMILES
C1=CC=C(C(=C1)C(=O)/C=C/C2=CC=C(C=C2)O)O
InChI
InChI=1S/C15H12O3/c16-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)17/h1-10,16-17H/b10-7+
InChIKey
FGPJTMCJNPRZGF-JXMROGBWSA-N
Compound name
(E)-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

496
Patents

240.07864 Da
Monoisotopic Mass

3.5
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

patents stripe