CID 14494064

4-hydroxy-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C9H6O4
SMILES
C1=CC(=C2C=C(OC2=C1)C(=O)O)O
InChI
InChI=1S/C9H6O4/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4,10H,(H,11,12)
InChIKey
NEKVJMIBJRAMTK-UHFFFAOYSA-N
Compound name
4-hydroxy-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.02661 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03389 130.6
[M+Na]+ 201.01583 141.3
[M-H]- 177.01933 134.6
[M+NH4]+ 196.06043 151.3
[M+K]+ 216.98977 139.8
[M+H-H2O]+ 161.02387 126.3
[M+HCOO]- 223.02481 153.5
[M+CH3COO]- 237.04046 173.9
[M+Na-2H]- 199.00128 138.1
[M]+ 178.02606 133.8
[M]- 178.02716 133.8
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.