CID 90657995

2-hydroxyeriodictyol

Structural Information

Molecular Formula
C15H12O7
SMILES
C1C(=O)C2=C(C=C(C=C2OC1(C3=CC(=C(C=C3)O)O)O)O)O
InChI
InChI=1S/C15H12O7/c16-8-4-11(19)14-12(20)6-15(21,22-13(14)5-8)7-1-2-9(17)10(18)3-7/h1-5,16-19,21H,6H2
InChIKey
WBHCYFXEVWJBEE-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-2,5,7-trihydroxy-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

11
Patents

304.0583 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.065576 164.6
[M+Na]+ 327.047518 173.9
[M-H]- 303.051024 167.7
[M+NH4]+ 322.092123 178.2
[M+K]+ 343.021458 171.2
[M+H-H2O]+ 287.055560 158.6
[M+HCOO]- 349.056501 178.3
[M+CH3COO]- 363.072151 194.2
[M+Na-2H]- 325.032966 169.5
[M]+ 304.05775142 164.1
[M]- 304.05884858 164.1
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