CID 42607520

75514-30-6

Structural Information

Molecular Formula
C15H12O5
SMILES
C1=CC(=C(C=C1O)O)C(=O)/C=C/C2=CC(=CC(=C2)O)O
InChI
InChI=1S/C15H12O5/c16-10-2-3-13(15(20)8-10)14(19)4-1-9-5-11(17)7-12(18)6-9/h1-8,16-18,20H/b4-1+
InChIKey
ZSMOFGFLBCKTKA-DAFODLJHSA-N
Compound name
(E)-1-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1
Patents

272.06848 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 158.9
[M+Na]+ 295.05770 166.8
[M-H]- 271.06120 161.1
[M+NH4]+ 290.10230 172.5
[M+K]+ 311.03164 161.9
[M+H-H2O]+ 255.06574 152.4
[M+HCOO]- 317.06668 177.2
[M+CH3COO]- 331.08233 189.5
[M+Na-2H]- 293.04315 160.6
[M]+ 272.06793 157.6
[M]- 272.06903 157.6
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