CID 71300232

1407521-96-3

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.04201	153.6
[M+Na]+	267.02395	163.4
[M+NH4]+	262.06855	159.0
[M+K]+	282.99789	160.5
[M-H]-	243.02745	151.2
[M+Na-2H]-	265.00940	156.4
[M]+	244.03418	154.1
[M]-	244.03528	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe