CID 12203539

2-formyl-1-benzofuran-3-carboxylic acid

Structural Information

Molecular Formula
C10H6O4
SMILES
C1=CC=C2C(=C1)C(=C(O2)C=O)C(=O)O
InChI
InChI=1S/C10H6O4/c11-5-8-9(10(12)13)6-3-1-2-4-7(6)14-8/h1-5H,(H,12,13)
InChIKey
OBUMPPKIGQNWPE-UHFFFAOYSA-N
Compound name
2-formyl-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.02661 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.033886 133.7
[M+Na]+ 213.015828 144.7
[M-H]- 189.019334 138.8
[M+NH4]+ 208.060433 154.5
[M+K]+ 228.989768 143.2
[M+H-H2O]+ 173.023870 129.0
[M+HCOO]- 235.024811 157.9
[M+CH3COO]- 249.040461 178.6
[M+Na-2H]- 211.001276 141.1
[M]+ 190.02606142 138.3
[M]- 190.02715858 138.3
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

No patent data available for this compound.