CID 25243927

1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-3-propanedione

Structural Information

Molecular Formula
C15H12O5
SMILES
C1=CC(=CC=C1/C(=C/C(=O)C2=C(C=C(C=C2)O)O)/O)O
InChI
InChI=1S/C15H12O5/c16-10-3-1-9(2-4-10)13(18)8-15(20)12-6-5-11(17)7-14(12)19/h1-8,16-19H/b13-8-
InChIKey
XCILFXNAMITKHJ-JYRVWZFOSA-N
Compound name
(Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

272.06848 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 159.0
[M+Na]+ 295.05770 165.8
[M-H]- 271.06120 161.0
[M+NH4]+ 290.10230 172.3
[M+K]+ 311.03164 161.3
[M+H-H2O]+ 255.06574 152.5
[M+HCOO]- 317.06668 176.4
[M+CH3COO]- 331.08233 189.1
[M+Na-2H]- 293.04315 160.2
[M]+ 272.06793 156.7
[M]- 272.06903 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.