CID 2144727

5-fluoro-3-methylbenzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C10H7FO3
SMILES
CC1=C(OC2=C1C=C(C=C2)F)C(=O)O
InChI
InChI=1S/C10H7FO3/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)
InChIKey
GMIDGDXRCTUPNM-UHFFFAOYSA-N
Compound name
5-fluoro-3-methyl-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
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 134.2
[M+Na]+ 217.027138 146.0
[M-H]- 193.030644 138.4
[M+NH4]+ 212.071743 155.3
[M+K]+ 233.001078 144.2
[M+H-H2O]+ 177.035180 129.0
[M+HCOO]- 239.036121 157.0
[M+CH3COO]- 253.051771 181.2
[M+Na-2H]- 215.012586 140.3
[M]+ 194.03737142 137.4
[M]- 194.03846858 137.4
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