CID 11454

(1-bromoethyl)benzene

Structural Information

Molecular Formula
C8H9Br
SMILES
CC(C1=CC=CC=C1)Br
InChI
InChI=1S/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
CRRUGYDDEMGVDY-UHFFFAOYSA-N
Compound name
1-bromoethylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

6885
Patents

183.98875 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.99603 128.9
[M+Na]+ 206.97797 133.2
[M+NH4]+ 202.02257 135.2
[M+K]+ 222.95191 132.4
[M-H]- 182.98147 130.5
[M+Na-2H]- 204.96342 134.3
[M]+ 183.98820 128.9
[M]- 183.98930 128.9
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