CID 6454844

Flavan, 2,3,3',4,4',5,7-heptahydroxy-

Structural Information

Molecular Formula
C15H14O8
SMILES
C1=CC(=C(C=C1C2(C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O)O
InChI
InChI=1S/C15H14O8/c16-7-4-10(19)12-11(5-7)23-15(22,14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-14,16-22H
InChIKey
RSIWDPWARBOFLC-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3,4-dihydrochromene-2,3,4,5,7-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.06888 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07616 169.7
[M+Na]+ 345.05810 178.4
[M-H]- 321.06160 170.4
[M+NH4]+ 340.10270 181.4
[M+K]+ 361.03204 175.8
[M+H-H2O]+ 305.06614 164.0
[M+HCOO]- 367.06708 180.2
[M+CH3COO]- 381.08273 195.3
[M+Na-2H]- 343.04355 173.2
[M]+ 322.06833 168.5
[M]- 322.06943 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.