CID 140140

1-(2-bromoethyl)-3-chlorobenzene

Structural Information

Molecular Formula
C8H8BrCl
SMILES
C1=CC(=CC(=C1)Cl)CCBr
InChI
InChI=1S/C8H8BrCl/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2
InChIKey
LKPWGXCMVLJRIK-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

561
Patents

217.94978 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.95706 135.8
[M+Na]+ 240.93900 141.4
[M+NH4]+ 235.98360 142.4
[M+K]+ 256.91294 139.2
[M-H]- 216.94250 137.6
[M+Na-2H]- 238.92445 141.2
[M]+ 217.94923 136.4
[M]- 217.95033 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe