CID 10914654

1,4-bis(bromodifluoromethyl)benzene

Structural Information

Molecular Formula

C₈H₄Br₂F₄

SMILES

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

InChI

InChI=1S/C8H4Br2F4/c9-7(11,12)5-1-2-6(4-3-5)8(10,13)14/h1-4H

InChIKey

LVNDZUPLJHHVKR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 333.8616 Da
Monoisotopic Mass: 4.7
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]+	334.86888	170.4
[M+Na]+	356.85082	165.1
[M+NH4]+	351.89542	170.8
[M+K]+	372.82476	169.4
[M-H]-	332.85432	167.6
[M+Na-2H]-	354.83627	169.7
[M]+	333.86105	167.9
[M]-	333.86215	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe