CID 7666

(2-bromoethyl)benzene

Structural Information

Molecular Formula
C8H9Br
SMILES
C1=CC=C(C=C1)CCBr
InChI
InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
WMPPDTMATNBGJN-UHFFFAOYSA-N
Compound name
2-bromoethylbenzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

49063
Patents

183.98875 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.99603 130.6
[M+Na]+ 206.97797 141.7
[M-H]- 182.98147 136.8
[M+NH4]+ 202.02257 154.0
[M+K]+ 222.95191 131.2
[M+H-H2O]+ 166.98601 131.4
[M+HCOO]- 228.98695 153.0
[M+CH3COO]- 243.00260 179.4
[M+Na-2H]- 204.96342 140.4
[M]+ 183.98820 148.8
[M]- 183.98930 148.8
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