CID 440836

(2s)-dihydrotricetin

Structural Information

Molecular Formula
C15H12O7
SMILES
C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C(=C3)O)O)O
InChI
InChI=1S/C15H12O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-4,12,16-17,19-21H,5H2/t12-/m0/s1
InChIKey
USQXPEWRYWRRJD-LBPRGKRZSA-N
Compound name
(2S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

124
Patents

304.0583 Da
Monoisotopic Mass

1.7
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