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]+ 214.990576 136.0
[M+Na]+ 236.972518 149.0
[M-H]- 212.976024 140.1
[M+NH4]+ 232.017123 157.1
[M+K]+ 252.946458 145.4
[M+H-H2O]+ 196.980560 131.6
[M+HCOO]- 258.981501 154.5
[M+CH3COO]- 272.997151 182.0
[M+Na-2H]- 234.957966 142.1
[M]+ 213.98275142 140.9
[M]- 213.98384858 140.9
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.