CID 11032746

2-bromo-4-chlorobutyryl bromide

Structural Information

Molecular Formula

C₄H₅Br₂ClO

SMILES

C(CCl)C(C(=O)Br)Br

InChI

InChI=1S/C4H5Br2ClO/c5-3(1-2-7)4(6)8/h3H,1-2H2

InChIKey

LTJVIGPJZUWMNN-UHFFFAOYSA-N

Compound name

2-bromo-4-chlorobutanoyl bromide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 261.83957 Da
Monoisotopic Mass: 2.6
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]+	262.84685	132.9
[M+Na]+	284.82879	144.7
[M-H]-	260.83229	137.3
[M+NH4]+	279.87339	153.8
[M+K]+	300.80273	128.1
[M+H-H2O]+	244.83683	141.9
[M+HCOO]-	306.83777	144.6
[M+CH3COO]-	320.85342	197.3
[M+Na-2H]-	282.81424	139.3
[M]+	261.83902	167.6
[M]-	261.84012	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe