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 136.6
[M+Na]+ 235.01772 149.3
[M-H]- 211.02122 139.7
[M+NH4]+ 230.06232 157.2
[M+K]+ 250.99166 147.0
[M+H-H2O]+ 195.02576 130.6
[M+HCOO]- 257.02670 158.3
[M+CH3COO]- 271.04235 185.2
[M+Na-2H]- 233.00317 141.4
[M]+ 212.02795 139.0
[M]- 212.02905 139.0
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