CID 220535

2,5-diphenylfuran-3,4-dicarboxylic acid

Structural Information

Molecular Formula
C18H12O5
SMILES
C1=CC=C(C=C1)C2=C(C(=C(O2)C3=CC=CC=C3)C(=O)O)C(=O)O
InChI
InChI=1S/C18H12O5/c19-17(20)13-14(18(21)22)16(12-9-5-2-6-10-12)23-15(13)11-7-3-1-4-8-11/h1-10H,(H,19,20)(H,21,22)
InChIKey
QPKYPOMZPFDBEZ-UHFFFAOYSA-N
Compound name
2,5-diphenylfuran-3,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

308.06848 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07576 167.9
[M+Na]+ 331.05770 175.4
[M-H]- 307.06120 176.7
[M+NH4]+ 326.10230 181.1
[M+K]+ 347.03164 172.6
[M+H-H2O]+ 291.06574 160.7
[M+HCOO]- 353.06668 188.5
[M+CH3COO]- 367.08233 199.4
[M+Na-2H]- 329.04315 169.2
[M]+ 308.06793 169.3
[M]- 308.06903 169.3
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