CID 71300232

Methyl 5-(trifluoromethyl)-1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C11H7F3O3
SMILES
COC(=O)C1=CC2=C(O1)C=CC(=C2)C(F)(F)F
InChI
InChI=1S/C11H7F3O3/c1-16-10(15)9-5-6-4-7(11(12,13)14)2-3-8(6)17-9/h2-5H,1H3
InChIKey
WZONWKOVXOPEAI-UHFFFAOYSA-N
Compound name
methyl 5-(trifluoromethyl)-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

244.03473 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.042006 145.2
[M+Na]+ 267.023948 156.8
[M-H]- 243.027454 147.8
[M+NH4]+ 262.068553 164.8
[M+K]+ 282.997888 155.1
[M+H-H2O]+ 227.031990 138.0
[M+HCOO]- 289.032931 165.5
[M+CH3COO]- 303.048581 190.1
[M+Na-2H]- 265.009396 151.5
[M]+ 244.03418142 147.2
[M]- 244.03527858 147.2
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