CID 11654

1-bromo-1-chloroethane

Structural Information

Molecular Formula
C2H4BrCl
SMILES
CC(Cl)Br
InChI
InChI=1S/C2H4BrCl/c1-2(3)4/h2H,1H3
InChIKey
QMSVNDSDEZTYAS-UHFFFAOYSA-N
Compound name
1-bromo-1-chloroethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3100
Patents

141.91849 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.925766 116.3
[M+Na]+ 164.907708 129.4
[M-H]- 140.911214 120.0
[M+NH4]+ 159.952313 142.2
[M+K]+ 180.881648 118.7
[M+H-H2O]+ 124.915750 119.0
[M+HCOO]- 186.916691 133.6
[M+CH3COO]- 200.932341 171.5
[M+Na-2H]- 162.893156 125.2
[M]+ 141.91794142 135.4
[M]- 141.91903858 135.4
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