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

2
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

literature stripe

Patent stripe

patents stripe