CID 98157

Ethyl 2,3-dibromobutyrate

Structural Information

Molecular Formula

C₆H₁₀Br₂O₂

SMILES

CCOC(=O)C(C(C)Br)Br

InChI

InChI=1S/C6H10Br2O2/c1-3-10-6(9)5(8)4(2)7/h4-5H,3H2,1-2H3

InChIKey

YPZLAXFGOUPECS-UHFFFAOYSA-N

Compound name

ethyl 2,3-dibromobutanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 64
Patents: 271.90475 Da
Monoisotopic Mass: 2.5
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]+	272.912026	139.7
[M+Na]+	294.893968	149.5
[M-H]-	270.897474	143.8
[M+NH4]+	289.938573	159.5
[M+K]+	310.867908	135.1
[M+H-H2O]+	254.902010	147.4
[M+HCOO]-	316.902951	153.8
[M+CH3COO]-	330.918601	200.6
[M+Na-2H]-	292.879416	144.3
[M]+	271.90420142	174.1
[M]-	271.90529858	174.1

Literature stripe

literature stripe

Patent stripe

patents stripe