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]+ 191.03389 133.7
[M+Na]+ 213.01583 144.7
[M-H]- 189.01933 138.8
[M+NH4]+ 208.06043 154.5
[M+K]+ 228.98977 143.2
[M+H-H2O]+ 173.02387 129.0
[M+HCOO]- 235.02481 157.9
[M+CH3COO]- 249.04046 178.6
[M+Na-2H]- 211.00128 141.1
[M]+ 190.02606 138.3
[M]- 190.02716 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.