CID 118988296

2105823-45-6

Structural Information

Molecular Formula
C10H7FO3
SMILES
COC(=O)C1=CC2=C(O1)C=C(C=C2)F
InChI
InChI=1S/C10H7FO3/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3
InChIKey
ZJZSVBINTUWFLW-UHFFFAOYSA-N
Compound name
methyl 6-fluoro-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

194.03792 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.045196 134.3
[M+Na]+ 217.027138 145.8
[M-H]- 193.030644 139.5
[M+NH4]+ 212.071743 155.9
[M+K]+ 233.001078 144.8
[M+H-H2O]+ 177.035180 128.6
[M+HCOO]- 239.036121 158.7
[M+CH3COO]- 253.051771 181.8
[M+Na-2H]- 215.012586 141.5
[M]+ 194.03737142 138.9
[M]- 194.03846858 138.9
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

patents stripe