CID 10877777

161886-18-6

Structural Information

Molecular Formula

C₈H₃F₂NO₂

SMILES

C1=CC(=C2C(=C1)OC(O2)(F)F)C#N

InChI

InChI=1S/C8H3F2NO2/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3H

InChIKey

BVCHTYSRAQFUBN-UHFFFAOYSA-N

Compound name

2,2-difluoro-1,3-benzodioxole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.01318 Da
Monoisotopic Mass: 2.2
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]+	184.02046	138.1
[M+Na]+	206.00240	149.5
[M+NH4]+	201.04700	143.4
[M+K]+	221.97634	140.6
[M-H]-	182.00590	131.8
[M+Na-2H]-	203.98785	140.3
[M]+	183.01263	137.2
[M]-	183.01373	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe