CID 2776619

215732-94-8

Structural Information

Molecular Formula

C₉H₃F₄NO₂

SMILES

C1=CC2=C(C=C1C#N)OC(C(O2)(F)F)(F)F

InChI

InChI=1S/C9H3F4NO2/c10-8(11)9(12,13)16-7-3-5(4-14)1-2-6(7)15-8/h1-3H

InChIKey

QPYMMYGNDXPHIU-UHFFFAOYSA-N

Compound name

2,2,3,3-tetrafluoro-1,4-benzodioxine-6-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 233.01 Da
Monoisotopic Mass: 2.9
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]+	234.01728	152.3
[M+Na]+	255.99922	162.4
[M+NH4]+	251.04382	156.7
[M+K]+	271.97316	151.0
[M-H]-	232.00272	144.1
[M+Na-2H]-	253.98467	154.3
[M]+	233.00945	150.9
[M]-	233.01055	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe