CID 122911

1,2-dibromo-1-chloropropane

Structural Information

Molecular Formula

C₃H₅Br₂Cl

SMILES

CC(C(Cl)Br)Br

InChI

InChI=1S/C3H5Br2Cl/c1-2(4)3(5)6/h2-3H,1H3

InChIKey

XWACZKSYLJCQIJ-UHFFFAOYSA-N

Compound name

1,2-dibromo-1-chloropropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 233.84465 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]+	234.851926	128.4
[M+Na]+	256.833868	140.5
[M-H]-	232.837374	133.0
[M+NH4]+	251.878473	150.4
[M+K]+	272.807808	124.2
[M+H-H2O]+	216.841910	137.8
[M+HCOO]-	278.842851	140.1
[M+CH3COO]-	292.858501	194.4
[M+Na-2H]-	254.819316	135.3
[M]+	233.84410142	162.3
[M]-	233.84519858	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe