CID 12229335

1-bromo-2-(1-chloroethyl)benzene

Structural Information

Molecular Formula
C8H8BrCl
SMILES
CC(C1=CC=CC=C1Br)Cl
InChI
InChI=1S/C8H8BrCl/c1-6(10)7-4-2-3-5-8(7)9/h2-6H,1H3
InChIKey
JJYCAISWXYBWPK-UHFFFAOYSA-N
Compound name
1-bromo-2-(1-chloroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

217.94978 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.95706 134.6
[M+Na]+ 240.93900 140.0
[M+NH4]+ 235.98360 141.2
[M+K]+ 256.91294 138.6
[M-H]- 216.94250 136.3
[M+Na-2H]- 238.92445 139.8
[M]+ 217.94923 135.1
[M]- 217.95033 135.1
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