CID 161678

Benzene, dibromoethyl-

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

336
Patents

261.8993 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.906576 136.4
[M+Na]+ 284.888518 146.5
[M-H]- 260.892024 143.0
[M+NH4]+ 279.933123 156.6
[M+K]+ 300.862458 131.6
[M+H-H2O]+ 244.896560 145.0
[M+HCOO]- 306.897501 152.5
[M+CH3COO]- 320.913151 198.5
[M+Na-2H]- 282.873966 144.3
[M]+ 261.89875142 169.5
[M]- 261.89984858 169.5
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