CID 137698948

6-chloro-7-fluoro-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C9H4ClFO3
SMILES
C1=CC(=C(C2=C1C=C(O2)C(=O)O)F)Cl
InChI
InChI=1S/C9H4ClFO3/c10-5-2-1-4-3-6(9(12)13)14-8(4)7(5)11/h1-3H,(H,12,13)
InChIKey
OAQZBUTVXUBAGN-UHFFFAOYSA-N
Compound name
6-chloro-7-fluoro-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.9833 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.99058 136.9
[M+Na]+ 236.97252 150.7
[M+NH4]+ 232.01712 145.0
[M+K]+ 252.94646 146.9
[M-H]- 212.97602 138.1
[M+Na-2H]- 234.95797 141.9
[M]+ 213.98275 139.4
[M]- 213.98385 139.4
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.