CID 83818774

2-chloro-1-benzofuran-3-carboxylic acid

Structural Information

Molecular Formula
C9H5ClO3
SMILES
C1=CC=C2C(=C1)C(=C(O2)Cl)C(=O)O
InChI
InChI=1S/C9H5ClO3/c10-8-7(9(11)12)5-3-1-2-4-6(5)13-8/h1-4H,(H,11,12)
InChIKey
FCXHUZXOZBUVLD-UHFFFAOYSA-N
Compound name
2-chloro-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.99272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00000 133.5
[M+Na]+ 218.98194 148.1
[M+NH4]+ 214.02654 142.5
[M+K]+ 234.95588 144.0
[M-H]- 194.98544 136.4
[M+Na-2H]- 216.96739 139.6
[M]+ 195.99217 136.7
[M]- 195.99327 136.7
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.