CID 20399

(2r-trans)-2,3-dihydro-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-benzopyrone

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

379
Patents

304.0583 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06558 164.4
[M+Na]+ 327.04752 173.5
[M-H]- 303.05102 167.5
[M+NH4]+ 322.09212 176.2
[M+K]+ 343.02146 170.5
[M+H-H2O]+ 287.05556 157.9
[M+HCOO]- 349.05650 178.1
[M+CH3COO]- 363.07215 196.1
[M+Na-2H]- 325.03297 167.2
[M]+ 304.05775 163.9
[M]- 304.05885 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

literature stripe

Patent stripe

patents stripe