CID 83397109

5-chloro-7-fluoro-1-benzofuran-3-carboxylic acid

Structural Information

Molecular Formula
C9H4ClFO3
SMILES
C1=C(C=C(C2=C1C(=CO2)C(=O)O)F)Cl
InChI
InChI=1S/C9H4ClFO3/c10-4-1-5-6(9(12)13)3-14-8(5)7(11)2-4/h1-3H,(H,12,13)
InChIKey
NBVALMKGTJBSMO-UHFFFAOYSA-N
Compound name
5-chloro-7-fluoro-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.9833 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.99058 136.0
[M+Na]+ 236.97252 149.0
[M-H]- 212.97602 140.1
[M+NH4]+ 232.01712 157.1
[M+K]+ 252.94646 145.4
[M+H-H2O]+ 196.98056 131.6
[M+HCOO]- 258.98150 154.5
[M+CH3COO]- 272.99715 182.0
[M+Na-2H]- 234.95797 142.1
[M]+ 213.98275 140.9
[M]- 213.98385 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.