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

2
Patents

212.0285 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.035776 136.6
[M+Na]+ 235.017718 149.3
[M-H]- 211.021224 139.7
[M+NH4]+ 230.062323 157.2
[M+K]+ 250.991658 147.0
[M+H-H2O]+ 195.025760 130.6
[M+HCOO]- 257.026701 158.3
[M+CH3COO]- 271.042351 185.2
[M+Na-2H]- 233.003166 141.4
[M]+ 212.02795142 139.0
[M]- 212.02904858 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