CID 468911

(2r,3r)-3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4h-chromen-4-one

Structural Information

Molecular Formula
C15H12O7
SMILES
C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O
InChI
InChI=1S/C15H12O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,13-14,16-19,21H/t13-,14+/m0/s1
InChIKey
YOTJHIQKUFOLIM-UONOGXRCSA-N
Compound name
(2R,3R)-3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0583 Da
Monoisotopic Mass

1.5
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

No patent data available for this compound.