CID 2734031

1,4-bis(difluoromethyl)benzene

Structural Information

Molecular Formula

C₈H₆F₄

SMILES

C1=CC(=CC=C1C(F)F)C(F)F

InChI

InChI=1S/C8H6F4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H

InChIKey

VWKMZVCSRVFUGW-UHFFFAOYSA-N

Compound name

1,4-bis(difluoromethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 219
Patents: 178.04056 Da
Monoisotopic Mass: 3.2
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]+	179.04784	142.4
[M+Na]+	201.02978	151.0
[M+NH4]+	196.07438	148.0
[M+K]+	217.00372	145.5
[M-H]-	177.03328	139.1
[M+Na-2H]-	199.01523	146.2
[M]+	178.04001	142.3
[M]-	178.04111	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe