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 142.9
[M+Na]+ 239.03147 151.9
[M-H]- 215.03497 149.8
[M+NH4]+ 234.07607 161.1
[M+K]+ 255.00541 150.2
[M+H-H2O]+ 199.03951 137.0
[M+HCOO]- 261.04045 166.6
[M+CH3COO]- 275.05610 183.1
[M+Na-2H]- 237.01692 147.5
[M]+ 216.04170 145.4
[M]- 216.04280 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