CID 14361216

3-bromophenethyl bromide

Structural Information

Molecular Formula
C8H8Br2
SMILES
C1=CC(=CC(=C1)Br)CCBr
InChI
InChI=1S/C8H8Br2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2
InChIKey
ZDWCLHJHUMKCQS-UHFFFAOYSA-N
Compound name
1-bromo-3-(2-bromoethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

261.8993 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.90658 134.3
[M+Na]+ 284.88852 145.3
[M-H]- 260.89202 141.2
[M+NH4]+ 279.93312 154.8
[M+K]+ 300.86246 130.1
[M+H-H2O]+ 244.89656 142.9
[M+HCOO]- 306.89750 151.2
[M+CH3COO]- 320.91315 198.7
[M+Na-2H]- 282.87397 142.8
[M]+ 261.89875 168.2
[M]- 261.89985 168.2
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