CID 587711

(2,2-difluoroethenyl)benzene

Structural Information

Molecular Formula

C₈H₆F₂

SMILES

C1=CC=C(C=C1)C=C(F)F

InChI

InChI=1S/C8H6F2/c9-8(10)6-7-4-2-1-3-5-7/h1-6H

InChIKey

DPYJMQGTOTVJBV-UHFFFAOYSA-N

Compound name

2,2-difluoroethenylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1669
Patents: 140.04376 Da
Monoisotopic Mass: 3.0
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]+	141.05104	123.3
[M+Na]+	163.03298	131.4
[M-H]-	139.03648	124.4
[M+NH4]+	158.07758	144.8
[M+K]+	179.00692	128.9
[M+H-H2O]+	123.04102	116.4
[M+HCOO]-	185.04196	145.4
[M+CH3COO]-	199.05761	173.2
[M+Na-2H]-	161.01843	129.9
[M]+	140.04321	119.2
[M]-	140.04431	119.2

Literature stripe

literature stripe

Patent stripe

patents stripe