CID 2788657

256411-48-0

Structural Information

Molecular Formula

C₁₀H₈F₃NO₃

SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C(F)(F)F

InChI

InChI=1S/C10H8F3NO3/c11-10(12,13)9(15)14-6-1-2-7-8(5-6)17-4-3-16-7/h1-2,5H,3-4H2,(H,14,15)

InChIKey

QDOWSCHKYQBJPM-UHFFFAOYSA-N

Compound name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,2-trifluoroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.04562 Da
Monoisotopic Mass: 1.9
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]+	248.052896	148.3
[M+Na]+	270.034838	155.6
[M-H]-	246.038344	149.9
[M+NH4]+	265.079443	163.5
[M+K]+	286.008778	155.4
[M+H-H2O]+	230.042880	139.6
[M+HCOO]-	292.043821	163.8
[M+CH3COO]-	306.059471	192.2
[M+Na-2H]-	268.020286	156.3
[M]+	247.04507142	144.3
[M]-	247.04616858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.