CID 3081374

Leukoefdin

Structural Information

Molecular Formula
C15H14O8
SMILES
C1=C(C=C(C(=C1O)O)O)C2C(C(C3=C(C=C(C=C3O2)O)O)O)O
InChI
InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H
InChIKey
ZEACOKJOQLAYTD-UHFFFAOYSA-N
Compound name
2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

1293
Patents

322.06888 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07616 170.2
[M+Na]+ 345.05810 181.6
[M+NH4]+ 340.10270 174.6
[M+K]+ 361.03204 179.8
[M-H]- 321.06160 171.5
[M+Na-2H]- 343.04355 171.2
[M]+ 322.06833 171.8
[M]- 322.06943 171.8
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