CID 20223870

1-bromo-3-(1-bromoethyl)benzene

Structural Information

Molecular Formula
C8H8Br2
SMILES
CC(C1=CC(=CC=C1)Br)Br
InChI
InChI=1S/C8H8Br2/c1-6(9)7-3-2-4-8(10)5-7/h2-6H,1H3
InChIKey
UIQXKUFHSPYYDY-UHFFFAOYSA-N
Compound name
1-bromo-3-(1-bromoethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

261.8993 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.906576 135.6
[M+Na]+ 284.888518 146.4
[M-H]- 260.892024 142.5
[M+NH4]+ 279.933123 156.0
[M+K]+ 300.862458 131.4
[M+H-H2O]+ 244.896560 144.2
[M+HCOO]- 306.897501 151.7
[M+CH3COO]- 320.913151 199.3
[M+Na-2H]- 282.873966 143.0
[M]+ 261.89875142 168.9
[M]- 261.89984858 168.9
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