CID 3995255

193746-17-7

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

2
References

30
Patents

256.07355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 155.8
[M+Na]+ 279.06277 163.5
[M-H]- 255.06627 159.1
[M+NH4]+ 274.10737 170.6
[M+K]+ 295.03671 158.6
[M+H-H2O]+ 239.07081 149.2
[M+HCOO]- 301.07175 175.5
[M+CH3COO]- 315.08740 188.1
[M+Na-2H]- 277.04822 158.6
[M]+ 256.07300 154.5
[M]- 256.07410 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