CID 611125

1,4-bis(chlorodifluoromethyl)benzene

Structural Information

Molecular Formula

C₈H₄Cl₂F₄

SMILES

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

InChI

InChI=1S/C8H4Cl2F4/c9-7(11,12)5-1-2-6(4-3-5)8(10,13)14/h1-4H

InChIKey

ZFNDPTMROCQNRJ-UHFFFAOYSA-N

Compound name

1,4-bis[chloro(difluoro)methyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 245.96262 Da
Monoisotopic Mass: 4.3
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]+	246.96990	149.4
[M+Na]+	268.95184	158.7
[M+NH4]+	263.99644	155.0
[M+K]+	284.92578	153.1
[M-H]-	244.95534	145.3
[M+Na-2H]-	266.93729	153.7
[M]+	245.96207	149.9
[M]-	245.96317	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe