CID 179999

5,7,2'-trihydroxyflavanone

Structural Information

Molecular Formula
C15H12O5
SMILES
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3O
InChI
InChI=1S/C15H12O5/c16-8-5-11(18)15-12(19)7-13(20-14(15)6-8)9-3-1-2-4-10(9)17/h1-6,13,16-18H,7H2
InChIKey
LSLXUDALHVEMQB-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

272.06848 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.075756 157.5
[M+Na]+ 295.057698 166.3
[M-H]- 271.061204 162.7
[M+NH4]+ 290.102303 171.7
[M+K]+ 311.031638 163.1
[M+H-H2O]+ 255.065740 150.7
[M+HCOO]- 317.066681 174.1
[M+CH3COO]- 331.082331 192.4
[M+Na-2H]- 293.043146 162.4
[M]+ 272.06793142 156.7
[M]- 272.06902858 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