CID 5365716

(1e)-1-bromocyclooct-1-ene

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CCC/C(=C\CC1)/Br
InChI
InChI=1S/C8H13Br/c9-8-6-4-2-1-3-5-7-8/h6H,1-5,7H2/b8-6+
InChIKey
GORSJTUPMQQONE-SOFGYWHQSA-N
Compound name
(1E)-1-bromocyclooctene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

188.02007 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02735 141.2
[M+Na]+ 211.00929 146.9
[M-H]- 187.01279 144.0
[M+NH4]+ 206.05389 151.6
[M+K]+ 226.98323 143.7
[M+H-H2O]+ 171.01733 140.7
[M+HCOO]- 233.01827 149.9
[M+CH3COO]- 247.03392 220.9
[M+Na-2H]- 208.99474 143.2
[M]+ 188.01952 147.4
[M]- 188.02062 147.4
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