CID 5322075

7,2',6'-trihydroxy-5-methoxyflavanone

Structural Information

Molecular Formula
C16H14O6
SMILES
COC1=CC(=CC2=C1C(=O)CC(O2)C3=C(C=CC=C3O)O)O
InChI
InChI=1S/C16H14O6/c1-21-12-5-8(17)6-13-16(12)11(20)7-14(22-13)15-9(18)3-2-4-10(15)19/h2-6,14,17-19H,7H2,1H3
InChIKey
LUSOAMBDAXTEBX-UHFFFAOYSA-N
Compound name
2-(2,6-dihydroxyphenyl)-7-hydroxy-5-methoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.07904 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 165.0
[M+Na]+ 325.06826 174.0
[M-H]- 301.07176 170.4
[M+NH4]+ 320.11286 178.2
[M+K]+ 341.04220 171.5
[M+H-H2O]+ 285.07630 157.9
[M+HCOO]- 347.07724 181.4
[M+CH3COO]- 361.09289 199.2
[M+Na-2H]- 323.05371 168.8
[M]+ 302.07849 166.4
[M]- 302.07959 166.4
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