CID 11265786

Ethyl 2,2-dibromobutanoate

Structural Information

Molecular Formula

C₆H₁₀Br₂O₂

SMILES

CCC(C(=O)OCC)(Br)Br

InChI

InChI=1S/C6H10Br2O2/c1-3-6(7,8)5(9)10-4-2/h3-4H2,1-2H3

InChIKey

LBIXTQMSEXBQDJ-UHFFFAOYSA-N

Compound name

ethyl 2,2-dibromobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 271.90475 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]+	272.912026	140.1
[M+Na]+	294.893968	150.7
[M-H]-	270.897474	144.4
[M+NH4]+	289.938573	160.1
[M+K]+	310.867908	135.9
[M+H-H2O]+	254.902010	148.3
[M+HCOO]-	316.902951	154.6
[M+CH3COO]-	330.918601	199.5
[M+Na-2H]-	292.879416	147.1
[M]+	271.90420142	175.3
[M]-	271.90529858	175.3

Literature stripe

literature stripe

Patent stripe

patents stripe