CID 167732232

3-(bromomethyl)-1,1-dichlorocyclobutane

Structural Information

Molecular Formula

C₅H₇BrCl₂

SMILES

C1C(CC1(Cl)Cl)CBr

InChI

InChI=1S/C5H7BrCl2/c6-3-4-1-5(7,8)2-4/h4H,1-3H2

InChIKey

PFKRXMXIMUFDCZ-UHFFFAOYSA-N

Compound name

3-(bromomethyl)-1,1-dichlorocyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.91081 Da
Monoisotopic Mass: 2.9
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]+	216.91809	118.0
[M+Na]+	238.90003	131.4
[M-H]-	214.90353	124.1
[M+NH4]+	233.94463	137.9
[M+K]+	254.87397	120.9
[M+H-H2O]+	198.90807	118.2
[M+HCOO]-	260.90901	130.0
[M+CH3COO]-	274.92466	185.6
[M+Na-2H]-	236.88548	127.4
[M]+	215.91026	145.1
[M]-	215.91136	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.