CID 10986872

89197-62-6

Structural Information

Molecular Formula
C9H5FO3
SMILES
C1=CC2=C(C=C1F)C=C(O2)C(=O)O
InChI
InChI=1S/C9H5FO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChIKey
HITUZQPFDWNUHA-UHFFFAOYSA-N
Compound name
5-fluoro-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

180.02228 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02956 132.8
[M+Na]+ 203.01150 145.4
[M+NH4]+ 198.05610 140.6
[M+K]+ 218.98544 142.2
[M-H]- 179.01500 133.9
[M+Na-2H]- 200.99695 137.8
[M]+ 180.02173 134.7
[M]- 180.02283 134.7
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

patents stripe