CID 534286

Methyl 2,3-dibromo-2-methylpropanoate

Structural Information

Molecular Formula

C₅H₈Br₂O₂

SMILES

CC(CBr)(C(=O)OC)Br

InChI

InChI=1S/C5H8Br2O2/c1-5(7,3-6)4(8)9-2/h3H2,1-2H3

InChIKey

GVLXNUSEDDXIGJ-UHFFFAOYSA-N

Compound name

methyl 2,3-dibromo-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 257.8891 Da
Monoisotopic Mass: 1.9
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]+	258.89638	141.6
[M+Na]+	280.87832	135.3
[M+NH4]+	275.92292	143.0
[M+K]+	296.85226	142.9
[M-H]-	256.88182	140.3
[M+Na-2H]-	278.86377	141.6
[M]+	257.88855	139.1
[M]-	257.88965	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe