CID 7849

1-bromo-2-chloroethane

Structural Information

Molecular Formula
C2H4BrCl
SMILES
C(CBr)Cl
InChI
InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2
InChIKey
IBYHHJPAARCAIE-UHFFFAOYSA-N
Compound name
1-bromo-2-chloroethane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

20
References

20338
Patents

141.91849 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.925766 115.8
[M+Na]+ 164.907708 129.2
[M-H]- 140.911214 119.4
[M+NH4]+ 159.952313 141.8
[M+K]+ 180.881648 118.1
[M+H-H2O]+ 124.915750 118.6
[M+HCOO]- 186.916691 134.0
[M+CH3COO]- 200.932341 170.8
[M+Na-2H]- 162.893156 125.9
[M]+ 141.91794142 135.5
[M]- 141.91903858 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe