CID 5280960

Naringenin chalcone

Structural Information

Molecular Formula
C15H12O5
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2O)O)O)O
InChI
InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+
InChIKey
YQHMWTPYORBCMF-ZZXKWVIFSA-N
Compound name
(E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

62
References

801
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 160.8
[M+Na]+ 295.05770 173.2
[M+NH4]+ 290.10230 166.3
[M+K]+ 311.03164 168.5
[M-H]- 271.06120 161.8
[M+Na-2H]- 293.04315 166.0
[M]+ 272.06793 162.6
[M]- 272.06903 162.6
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