CID 519775

1-bromocyclohex-1-ene

Structural Information

Molecular Formula
C6H9Br
SMILES
C1CCC(=CC1)Br
InChI
InChI=1S/C6H9Br/c7-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKey
QBUMXSSCYUMVAW-UHFFFAOYSA-N
Compound name
1-bromocyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

364
Patents

159.98875 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99603 126.1
[M+Na]+ 182.97797 136.1
[M-H]- 158.98147 132.1
[M+NH4]+ 178.02257 150.3
[M+K]+ 198.95191 126.5
[M+H-H2O]+ 142.98601 127.2
[M+HCOO]- 204.98695 146.4
[M+CH3COO]- 219.00260 174.4
[M+Na-2H]- 180.96342 134.9
[M]+ 159.98820 140.9
[M]- 159.98930 140.9
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