CID 334069

1-bromo-2-(2-bromoethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
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 134.3
[M+Na]+ 284.888518 145.3
[M-H]- 260.892024 141.2
[M+NH4]+ 279.933123 154.8
[M+K]+ 300.862458 130.1
[M+H-H2O]+ 244.896560 142.9
[M+HCOO]- 306.897501 151.2
[M+CH3COO]- 320.913151 198.7
[M+Na-2H]- 282.873966 142.8
[M]+ 261.89875142 168.2
[M]- 261.89984858 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

No literature data available for this compound.

Patent stripe

patents stripe