CID 5322052

163121-02-6

Structural Information

Molecular Formula
C15H12O4
SMILES
C1=CC(=CC=C1C(=O)/C=C/C2=C(C=C(C=C2)O)O)O
InChI
InChI=1S/C15H12O4/c16-12-5-1-10(2-6-12)14(18)8-4-11-3-7-13(17)9-15(11)19/h1-9,16-17,19H/b8-4+
InChIKey
VDYSHUXENHRSOO-XBXARRHUSA-N
Compound name
(E)-3-(2,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

256.07355 Da
Monoisotopic Mass

2.6
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