CID 527570

1,6-dibromocyclohex-1-ene

Structural Information

Molecular Formula
C6H8Br2
SMILES
C1CC=C(C(C1)Br)Br
InChI
InChI=1S/C6H8Br2/c7-5-3-1-2-4-6(5)8/h3,6H,1-2,4H2
InChIKey
GOMHXBPKIHKYIA-UHFFFAOYSA-N
Compound name
1,6-dibromocyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

237.89928 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.90656 130.8
[M+Na]+ 260.88850 141.0
[M-H]- 236.89200 137.5
[M+NH4]+ 255.93310 151.9
[M+K]+ 276.86244 126.4
[M+H-H2O]+ 220.89654 139.8
[M+HCOO]- 282.89748 146.0
[M+CH3COO]- 296.91313 194.6
[M+Na-2H]- 258.87395 138.6
[M]+ 237.89873 161.9
[M]- 237.89983 161.9
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