CID 5460097

2,3-dihydrogossypetin

Structural Information

Molecular Formula
C15H12O8
SMILES
C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O)O
InChI
InChI=1S/C15H12O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,13-14,16-20,22H/t13-,14+/m0/s1
InChIKey
ZHPLPRUARZZBET-UONOGXRCSA-N
Compound name
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

320.05322 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.060496 167.8
[M+Na]+ 343.042438 176.9
[M-H]- 319.045944 169.9
[M+NH4]+ 338.087043 178.3
[M+K]+ 359.016378 174.3
[M+H-H2O]+ 303.050480 161.4
[M+HCOO]- 365.051421 180.0
[M+CH3COO]- 379.067071 198.4
[M+Na-2H]- 341.027886 169.7
[M]+ 320.05267142 167.5
[M]- 320.05376858 167.5
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