CID 50998379

2-bromo-4-chloro-1,3-difluorobenzene

Structural Information

Molecular Formula

C₆H₂BrClF₂

SMILES

C1=CC(=C(C(=C1F)Br)F)Cl

InChI

InChI=1S/C6H2BrClF2/c7-5-4(9)2-1-3(8)6(5)10/h1-2H

InChIKey

STPUUBCHYCYFBQ-UHFFFAOYSA-N

Compound name

3-bromo-1-chloro-2,4-difluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 225.89964 Da
Monoisotopic Mass: 3.4
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]+	226.90692	131.1
[M+Na]+	248.88886	146.7
[M-H]-	224.89236	135.9
[M+NH4]+	243.93346	154.5
[M+K]+	264.86280	133.7
[M+H-H2O]+	208.89690	131.6
[M+HCOO]-	270.89784	147.8
[M+CH3COO]-	284.91349	185.5
[M+Na-2H]-	246.87431	138.4
[M]+	225.89909	149.3
[M]-	225.90019	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe