CID 42607560

4,2',3',4'-tetrahydroxychalcone

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/c16-10-4-1-9(2-5-10)3-7-12(17)11-6-8-13(18)15(20)14(11)19/h1-8,16,18-20H/b7-3+
InChIKey
HHNXXWDNZKAGHV-XVNBXDOJSA-N
Compound name
(E)-3-(4-hydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
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