CID 4325152

400744-65-2

Structural Information

Molecular Formula
C12H8O4
SMILES
C1=CC(=CC=C1C=O)C2=CC=C(O2)C(=O)O
InChI
InChI=1S/C12H8O4/c13-7-8-1-3-9(4-2-8)10-5-6-11(16-10)12(14)15/h1-7H,(H,14,15)
InChIKey
GFSJSDMWCMSHIY-UHFFFAOYSA-N
Compound name
5-(4-formylphenyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

216.04225 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.049526 142.9
[M+Na]+ 239.031468 151.9
[M-H]- 215.034974 149.8
[M+NH4]+ 234.076073 161.1
[M+K]+ 255.005408 150.2
[M+H-H2O]+ 199.039510 137.0
[M+HCOO]- 261.040451 166.6
[M+CH3COO]- 275.056101 183.1
[M+Na-2H]- 237.016916 147.5
[M]+ 216.04170142 145.4
[M]- 216.04279858 145.4
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

patents stripe