CID 18184308

147373-09-9

Structural Information

Molecular Formula
C9H5FO3
SMILES
C1=CC2=C(C=C1F)C(=CO2)C(=O)O
InChI
InChI=1S/C9H5FO3/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4H,(H,11,12)
InChIKey
CNGNGGBYKPBLCU-UHFFFAOYSA-N
Compound name
5-fluoro-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

180.02228 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02956 129.8
[M+Na]+ 203.01150 141.1
[M-H]- 179.01500 133.7
[M+NH4]+ 198.05610 151.1
[M+K]+ 218.98544 139.4
[M+H-H2O]+ 163.01954 124.4
[M+HCOO]- 225.02048 152.9
[M+CH3COO]- 239.03613 176.9
[M+Na-2H]- 200.99695 137.1
[M]+ 180.02173 132.2
[M]- 180.02283 132.2
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

patents stripe