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 135.0
[M+Na]+ 213.01583 148.1
[M+NH4]+ 208.06043 142.7
[M+K]+ 228.98977 145.1
[M-H]- 189.01933 137.0
[M+Na-2H]- 211.00128 140.1
[M]+ 190.02606 137.3
[M]- 190.02716 137.3
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.