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

3006
Patents

141.91849 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.92577 116.3
[M+Na]+ 164.90771 129.4
[M-H]- 140.91121 120.0
[M+NH4]+ 159.95231 142.2
[M+K]+ 180.88165 118.7
[M+H-H2O]+ 124.91575 119.0
[M+HCOO]- 186.91669 133.6
[M+CH3COO]- 200.93234 171.5
[M+Na-2H]- 162.89316 125.2
[M]+ 141.91794 135.4
[M]- 141.91904 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