CID 42607887

2beta-5,7-trihydroxyflavanone

Structural Information

Molecular Formula
C15H12O5
SMILES
C1C(=O)C2=C(C=C(C=C2O[C@@]1(C3=CC=CC=C3)O)O)O
InChI
InChI=1S/C15H12O5/c16-10-6-11(17)14-12(18)8-15(19,20-13(14)7-10)9-4-2-1-3-5-9/h1-7,16-17,19H,8H2/t15-/m0/s1
InChIKey
KRSTWHCNVMDXQW-HNNXBMFYSA-N
Compound name
(2S)-2,5,7-trihydroxy-2-phenyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

36
Patents

272.06848 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 158.1
[M+Na]+ 295.05770 167.1
[M-H]- 271.06120 163.3
[M+NH4]+ 290.10230 174.1
[M+K]+ 311.03164 164.0
[M+H-H2O]+ 255.06574 151.6
[M+HCOO]- 317.06668 174.7
[M+CH3COO]- 331.08233 190.6
[M+Na-2H]- 293.04315 164.8
[M]+ 272.06793 157.2
[M]- 272.06903 157.2
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

No patent data available for this compound.