CID 557023

Cyclohexene, 4-(2-bromoethyl)-

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CC(CC=C1)CCBr
InChI
InChI=1S/C8H13Br/c9-7-6-8-4-2-1-3-5-8/h1-2,8H,3-7H2
InChIKey
AJDCCNQUNLJJJB-UHFFFAOYSA-N
Compound name
4-(2-bromoethyl)cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

188.02007 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02735 135.4
[M+Na]+ 211.00929 144.6
[M-H]- 187.01279 141.0
[M+NH4]+ 206.05389 158.5
[M+K]+ 226.98323 134.4
[M+H-H2O]+ 171.01733 136.1
[M+HCOO]- 233.01827 155.0
[M+CH3COO]- 247.03392 180.0
[M+Na-2H]- 208.99474 143.1
[M]+ 188.01952 150.9
[M]- 188.02062 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