CID 42281946

Potassium 5,7-difluoro-3-methyl-1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C10H6F2O3
SMILES
CC1=C(OC2=C1C=C(C=C2F)F)C(=O)O
InChI
InChI=1S/C10H6F2O3/c1-4-6-2-5(11)3-7(12)9(6)15-8(4)10(13)14/h2-3H,1H3,(H,13,14)
InChIKey
VIEBTMPYGMCTMU-UHFFFAOYSA-N
Compound name
5,7-difluoro-3-methyl-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

212.0285 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03578 143.3
[M+Na]+ 235.01772 155.1
[M+NH4]+ 230.06232 149.9
[M+K]+ 250.99166 152.0
[M-H]- 211.02122 142.8
[M+Na-2H]- 233.00317 146.5
[M]+ 212.02795 144.6
[M]- 212.02905 144.6
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