CID 22747

1,4-dibromo-2,3-butanedione

Structural Information

Molecular Formula

C₄H₄Br₂O₂

SMILES

C(C(=O)C(=O)CBr)Br

InChI

InChI=1S/C4H4Br2O2/c5-1-3(7)4(8)2-6/h1-2H2

InChIKey

RZMOICJDRADLCT-UHFFFAOYSA-N

Compound name

1,4-dibromobutane-2,3-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 406
Patents: 241.8578 Da
Monoisotopic Mass: 1.2
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]+	242.86508	135.8
[M+Na]+	264.84702	129.6
[M+NH4]+	259.89162	137.2
[M+K]+	280.82096	137.2
[M-H]-	240.85052	134.6
[M+Na-2H]-	262.83247	135.9
[M]+	241.85725	133.2
[M]-	241.85835	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe