CID 11106122

1-(2-bromoethyl)cyclohex-1-ene

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CCC(=CC1)CCBr
InChI
InChI=1S/C8H13Br/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2
InChIKey
FCJPLQAAWZUXSC-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

188.02007 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.027346 135.4
[M+Na]+ 211.009288 144.6
[M-H]- 187.012794 141.0
[M+NH4]+ 206.053893 158.5
[M+K]+ 226.983228 134.4
[M+H-H2O]+ 171.017330 136.1
[M+HCOO]- 233.018271 155.0
[M+CH3COO]- 247.033921 180.0
[M+Na-2H]- 208.994736 143.1
[M]+ 188.01952142 150.9
[M]- 188.02061858 150.9
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