CID 144412

1,2-dibromo-2,3-dichloropropane

Structural Information

Molecular Formula

C₃H₄Br₂Cl₂

SMILES

C(C(CBr)(Cl)Br)Cl

InChI

InChI=1S/C3H4Br2Cl2/c4-1-3(5,7)2-6/h1-2H2

InChIKey

KKPLLXWDLWIQDL-UHFFFAOYSA-N

Compound name

1,2-dibromo-2,3-dichloropropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 267.8057 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]+	268.81298	134.2
[M+Na]+	290.79492	147.8
[M-H]-	266.79842	138.5
[M+NH4]+	285.83952	155.6
[M+K]+	306.76886	129.6
[M+H-H2O]+	250.80296	144.3
[M+HCOO]-	312.80390	142.2
[M+CH3COO]-	326.81955	197.1
[M+Na-2H]-	288.78037	142.7
[M]+	267.80515	168.7
[M]-	267.80625	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.