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

10
Patents

216.04225 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04953 144.4
[M+Na]+ 239.03147 157.2
[M+NH4]+ 234.07607 151.7
[M+K]+ 255.00541 154.0
[M-H]- 215.03497 147.8
[M+Na-2H]- 237.01692 150.8
[M]+ 216.04170 147.0
[M]- 216.04280 147.0
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