CID 17603898

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
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

literature stripe

Patent stripe

patents stripe