CID 69204668

1388021-03-1

Structural Information

Molecular Formula
C9H5FO3
SMILES
C1=COC2=C(C=C(C=C21)F)C(=O)O
InChI
InChI=1S/C9H5FO3/c10-6-3-5-1-2-13-8(5)7(4-6)9(11)12/h1-4H,(H,11,12)
InChIKey
WSJRATHUSPTLAI-UHFFFAOYSA-N
Compound name
5-fluoro-1-benzofuran-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

180.02228 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.029556 129.8
[M+Na]+ 203.011498 141.1
[M-H]- 179.015004 133.7
[M+NH4]+ 198.056103 151.1
[M+K]+ 218.985438 139.4
[M+H-H2O]+ 163.019540 124.4
[M+HCOO]- 225.020481 152.9
[M+CH3COO]- 239.036131 176.9
[M+Na-2H]- 200.996946 137.1
[M]+ 180.02173142 132.2
[M]- 180.02282858 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