CID 113638

5,7,3'-trihydroxyflavanone

Structural Information

Molecular Formula
C15H12O5
SMILES
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=CC=C3)O
InChI
InChI=1S/C15H12O5/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2
InChIKey
NJWJQMLMBXIOJW-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

138
Patents

272.06848 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 157.5
[M+Na]+ 295.05770 166.3
[M-H]- 271.06120 162.7
[M+NH4]+ 290.10230 171.7
[M+K]+ 311.03164 163.1
[M+H-H2O]+ 255.06574 150.7
[M+HCOO]- 317.06668 174.1
[M+CH3COO]- 331.08233 192.4
[M+Na-2H]- 293.04315 162.4
[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

literature stripe

Patent stripe

patents stripe