CID 6474895

92496-89-4

Structural Information

Molecular Formula
C15H12O4
SMILES
C1=CC(=CC=C1C(=O)/C=C/C2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C15H12O4/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-1+
InChIKey
UPERCWWUZZKHCL-LREOWRDNSA-N
Compound name
(E)-3-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

24
Patents

256.07355 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.080826 155.8
[M+Na]+ 279.062768 163.5
[M-H]- 255.066274 159.1
[M+NH4]+ 274.107373 170.6
[M+K]+ 295.036708 158.6
[M+H-H2O]+ 239.070810 149.2
[M+HCOO]- 301.071751 175.5
[M+CH3COO]- 315.087401 188.1
[M+Na-2H]- 277.048216 158.6
[M]+ 256.07300142 154.5
[M]- 256.07409858 154.5
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