CID 7280

1,2-dibromo-3-chloropropane

Structural Information

Molecular Formula

C₃H₅Br₂Cl

SMILES

C(C(CBr)Br)Cl

InChI

InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2

InChIKey

WBEJYOJJBDISQU-UHFFFAOYSA-N

Compound name

1,2-dibromo-3-chloropropane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 284
References: 7866
Patents: 233.84465 Da
Monoisotopic Mass: 2.4
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	127.4
[M+Na]+	256.833868	139.7
[M-H]-	232.837374	131.9
[M+NH4]+	251.878473	149.4
[M+K]+	272.807808	123.2
[M+H-H2O]+	216.841910	136.8
[M+HCOO]-	278.842851	139.9
[M+CH3COO]-	292.858501	193.8
[M+Na-2H]-	254.819316	135.4
[M]+	233.84410142	161.8
[M]-	233.84519858	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe