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

4
Patents

244.03473 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04201 145.2
[M+Na]+ 267.02395 156.8
[M-H]- 243.02745 147.8
[M+NH4]+ 262.06855 164.8
[M+K]+ 282.99789 155.1
[M+H-H2O]+ 227.03199 138.0
[M+HCOO]- 289.03293 165.5
[M+CH3COO]- 303.04858 190.1
[M+Na-2H]- 265.00940 151.5
[M]+ 244.03418 147.2
[M]- 244.03528 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