CID 3011692

3,4-bis(3,4-dihydroxyphenyl)furan-2,5-dione

Structural Information

Molecular Formula
C16H10O7
SMILES
C1=CC(=C(C=C1C2=C(C(=O)OC2=O)C3=CC(=C(C=C3)O)O)O)O
InChI
InChI=1S/C16H10O7/c17-9-3-1-7(5-11(9)19)13-14(16(22)23-15(13)21)8-2-4-10(18)12(20)6-8/h1-6,17-20H
InChIKey
ZMBVJKLUDSNPCP-UHFFFAOYSA-N
Compound name
3,4-bis(3,4-dihydroxyphenyl)furan-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.04266 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04994 165.4
[M+Na]+ 337.03188 175.4
[M-H]- 313.03538 172.8
[M+NH4]+ 332.07648 178.0
[M+K]+ 353.00582 172.2
[M+H-H2O]+ 297.03992 159.1
[M+HCOO]- 359.04086 184.4
[M+CH3COO]- 373.05651 197.8
[M+Na-2H]- 335.01733 166.0
[M]+ 314.04211 166.9
[M]- 314.04321 166.9
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.