CID 157633

80366-15-0

Structural Information

Molecular Formula
C15H12O7
SMILES
C1=CC(=C(C(=C1)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI
InChI=1S/C15H12O7/c16-6-4-9(19)12-10(5-6)22-15(14(21)13(12)20)11-7(17)2-1-3-8(11)18/h1-5,14-19,21H/t14-,15+/m0/s1
InChIKey
NBQYBZYBTNQEQG-LSDHHAIUSA-N
Compound name
(2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

304.0583 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe