CID 610032

Methyl dibromochloroacetate

Structural Information

Molecular Formula

C₃H₃Br₂ClO₂

SMILES

COC(=O)C(Cl)(Br)Br

InChI

InChI=1S/C3H3Br2ClO2/c1-8-2(7)3(4,5)6/h1H3

InChIKey

QZQHSPJXRPFOLR-UHFFFAOYSA-N

Compound name

methyl 2,2-dibromo-2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.81882 Da
Monoisotopic Mass: 2.3
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]+	264.82610	132.3
[M+Na]+	286.80804	145.0
[M-H]-	262.81154	137.1
[M+NH4]+	281.85264	153.4
[M+K]+	302.78198	128.8
[M+H-H2O]+	246.81608	141.7
[M+HCOO]-	308.81702	144.1
[M+CH3COO]-	322.83267	195.6
[M+Na-2H]-	284.79349	140.5
[M]+	263.81827	167.9
[M]-	263.81937	167.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.