CID 2560313

7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C10H7FO3
SMILES
CC1=C(OC2=C1C=CC=C2F)C(=O)O
InChI
InChI=1S/C10H7FO3/c1-5-6-3-2-4-7(11)9(6)14-8(5)10(12)13/h2-4H,1H3,(H,12,13)
InChIKey
POKSDBKGWXHSCS-UHFFFAOYSA-N
Compound name
7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
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

literature stripe

Patent stripe

patents stripe