CID 72790631

2-[3-(3,4-dihydroxyphenyl)-2,3-dihydroxy-propyl]benzene-1,3,5-triol

Structural Information

Molecular Formula
C15H16O7
SMILES
C1=CC(=C(C=C1C(C(CC2=C(C=C(C=C2O)O)O)O)O)O)O
InChI
InChI=1S/C15H16O7/c16-8-4-11(18)9(12(19)5-8)6-14(21)15(22)7-1-2-10(17)13(20)3-7/h1-5,14-22H,6H2
InChIKey
GXAOAKQWUCWXOL-UHFFFAOYSA-N
Compound name
2-[3-(3,4-dihydroxyphenyl)-2,3-dihydroxypropyl]benzene-1,3,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.0896 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09688 167.2
[M+Na]+ 331.07882 173.1
[M-H]- 307.08232 165.6
[M+NH4]+ 326.12342 177.2
[M+K]+ 347.05276 169.5
[M+H-H2O]+ 291.08686 160.9
[M+HCOO]- 353.08780 179.8
[M+CH3COO]- 367.10345 192.9
[M+Na-2H]- 329.06427 165.7
[M]+ 308.08905 164.7
[M]- 308.09015 164.7
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

No patent data available for this compound.