CID 9838146

1-bromo-4-(1-bromoethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
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 140.2
[M+Na]+ 284.88852 136.0
[M+NH4]+ 279.93312 143.0
[M+K]+ 300.86246 142.1
[M-H]- 260.89202 141.5
[M+Na-2H]- 282.87397 142.8
[M]+ 261.89875 139.0
[M]- 261.89985 139.0
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

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