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]+ 323.076156 169.7
[M+Na]+ 345.058098 178.4
[M-H]- 321.061604 170.4
[M+NH4]+ 340.102703 181.4
[M+K]+ 361.032038 175.8
[M+H-H2O]+ 305.066140 164.0
[M+HCOO]- 367.067081 180.2
[M+CH3COO]- 381.082731 195.3
[M+Na-2H]- 343.043546 173.2
[M]+ 322.06833142 168.5
[M]- 322.06942858 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.