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
6
Annotation Hits

17
References

50385
Patents

183.98875 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.996026 130.6
[M+Na]+ 206.977968 141.7
[M-H]- 182.981474 136.8
[M+NH4]+ 202.022573 154.0
[M+K]+ 222.951908 131.2
[M+H-H2O]+ 166.986010 131.4
[M+HCOO]- 228.986951 153.0
[M+CH3COO]- 243.002601 179.4
[M+Na-2H]- 204.963416 140.4
[M]+ 183.98820142 148.8
[M]- 183.98929858 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