CID 119000824

1256081-82-9

Structural Information

Molecular Formula

C₇H₄BrClF₂

SMILES

C1=C(C=C(C(=C1CCl)Br)F)F

InChI

InChI=1S/C7H4BrClF2/c8-7-4(3-9)1-5(10)2-6(7)11/h1-2H,3H2

InChIKey

KWRVEUTTZWKFGG-UHFFFAOYSA-N

Compound name

2-bromo-1-(chloromethyl)-3,5-difluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 239.9153 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]+	240.922576	135.9
[M+Na]+	262.904518	151.1
[M-H]-	238.908024	140.5
[M+NH4]+	257.949123	158.8
[M+K]+	278.878458	137.8
[M+H-H2O]+	222.912560	136.2
[M+HCOO]-	284.913501	152.2
[M+CH3COO]-	298.929151	188.3
[M+Na-2H]-	260.889966	142.6
[M]+	239.91475142	154.4
[M]-	239.91584858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe