CID 20361923

1-bromo-3-(1-chloroethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 135.3
[M+Na]+ 240.93900 148.1
[M-H]- 216.94250 141.9
[M+NH4]+ 235.98360 158.6
[M+K]+ 256.91294 135.8
[M+H-H2O]+ 200.94704 137.0
[M+HCOO]- 262.94798 152.4
[M+CH3COO]- 276.96363 184.7
[M+Na-2H]- 238.92445 142.9
[M]+ 217.94923 155.1
[M]- 217.95033 155.1
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