CID 92818

1,2-dibromo-1-chloroethane

Structural Information

Molecular Formula

C₂H₃Br₂Cl

SMILES

C(C(Cl)Br)Br

InChI

InChI=1S/C2H3Br2Cl/c3-1-2(4)5/h2H,1H2

InChIKey

DVTKTUMRXCKEEG-UHFFFAOYSA-N

Compound name

1,2-dibromo-1-chloroethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 151
Patents: 219.829 Da
Monoisotopic Mass: 2.5
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]+	220.83628	123.2
[M+Na]+	242.81822	135.8
[M-H]-	218.82172	127.9
[M+NH4]+	237.86282	145.6
[M+K]+	258.79216	119.5
[M+H-H2O]+	202.82626	132.8
[M+HCOO]-	264.82720	136.0
[M+CH3COO]-	278.84285	191.5
[M+Na-2H]-	240.80367	131.7
[M]+	219.82845	157.3
[M]-	219.82955	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe