CID 5320470

Robtein

Structural Information

Molecular Formula
C15H12O6
SMILES
C1=CC(=C(C=C1O)O)C(=O)/C=C/C2=CC(=C(C(=C2)O)O)O
InChI
InChI=1S/C15H12O6/c16-9-2-3-10(12(18)7-9)11(17)4-1-8-5-13(19)15(21)14(20)6-8/h1-7,16,18-21H/b4-1+
InChIKey
NLAXFZHJXUCLDR-DAFODLJHSA-N
Compound name
(E)-1-(2,4-dihydroxyphenyl)-3-(3,4,5-trihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

288.0634 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.070676 161.9
[M+Na]+ 311.052618 170.0
[M-H]- 287.056124 163.1
[M+NH4]+ 306.097223 174.3
[M+K]+ 327.026558 165.2
[M+H-H2O]+ 271.060660 155.6
[M+HCOO]- 333.061601 178.8
[M+CH3COO]- 347.077251 191.2
[M+Na-2H]- 309.038066 162.5
[M]+ 288.06285142 160.7
[M]- 288.06394858 160.7
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