CID 20399

Dihydrorobinetin

Structural Information

Molecular Formula
C15H12O7
SMILES
C1=CC2=C(C=C1O)OC(C(C2=O)O)C3=CC(=C(C(=C3)O)O)O
InChI
InChI=1S/C15H12O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,14-18,20-21H
InChIKey
VSJCDPYIMBSOKN-UHFFFAOYSA-N
Compound name
3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

461
Patents

304.0583 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.065576 164.4
[M+Na]+ 327.047518 173.5
[M-H]- 303.051024 167.5
[M+NH4]+ 322.092123 176.2
[M+K]+ 343.021458 170.5
[M+H-H2O]+ 287.055560 157.9
[M+HCOO]- 349.056501 178.1
[M+CH3COO]- 363.072151 196.1
[M+Na-2H]- 325.032966 167.2
[M]+ 304.05775142 163.9
[M]- 304.05884858 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.