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

63
Patents

194.03792 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04520 134.2
[M+Na]+ 217.02714 146.0
[M-H]- 193.03064 138.4
[M+NH4]+ 212.07174 155.3
[M+K]+ 233.00108 144.2
[M+H-H2O]+ 177.03518 129.0
[M+HCOO]- 239.03612 157.0
[M+CH3COO]- 253.05177 181.2
[M+Na-2H]- 215.01259 140.3
[M]+ 194.03737 137.4
[M]- 194.03847 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