CID 11160027

2-bromo-1-cyclohexylethanone

Structural Information

Molecular Formula
C8H13BrO
SMILES
C1CCC(CC1)C(=O)CBr
InChI
InChI=1S/C8H13BrO/c9-6-8(10)7-4-2-1-3-5-7/h7H,1-6H2
InChIKey
ADLIDZNESKOPIP-UHFFFAOYSA-N
Compound name
2-bromo-1-cyclohexylethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

386
Patents

204.01498 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.022256 139.9
[M+Na]+ 227.004198 148.0
[M-H]- 203.007704 145.1
[M+NH4]+ 222.048803 162.0
[M+K]+ 242.978138 138.2
[M+H-H2O]+ 187.012240 140.4
[M+HCOO]- 249.013181 157.5
[M+CH3COO]- 263.028831 182.1
[M+Na-2H]- 224.989646 145.3
[M]+ 204.01443142 154.0
[M]- 204.01552858 154.0
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