CID 137057

3-bromocyclohexene

Structural Information

Molecular Formula
C6H9Br
SMILES
C1CC=CC(C1)Br
InChI
InChI=1S/C6H9Br/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2
InChIKey
AJKDUJRRWLQXHM-UHFFFAOYSA-N
Compound name
3-bromocyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1305
Patents

159.98875 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99603 125.1
[M+Na]+ 182.97797 128.4
[M+NH4]+ 178.02257 131.7
[M+K]+ 198.95191 127.6
[M-H]- 158.98147 126.6
[M+Na-2H]- 180.96342 129.5
[M]+ 159.98820 124.8
[M]- 159.98930 124.8
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