CID 4189539

5-(3-formylphenyl)furan-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
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

literature stripe

Patent stripe

patents stripe