CID 167736611

2-bromo-1-(4-methylidenecyclohexyl)ethan-1-one

Structural Information

Molecular Formula
C9H13BrO
SMILES
C=C1CCC(CC1)C(=O)CBr
InChI
InChI=1S/C9H13BrO/c1-7-2-4-8(5-3-7)9(11)6-10/h8H,1-6H2
InChIKey
HRMFBKBECUBVFM-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-methylidenecyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.01498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02226 141.8
[M+Na]+ 239.00420 150.7
[M-H]- 215.00770 147.3
[M+NH4]+ 234.04880 163.7
[M+K]+ 254.97814 140.0
[M+H-H2O]+ 199.01224 142.4
[M+HCOO]- 261.01318 159.3
[M+CH3COO]- 275.02883 185.1
[M+Na-2H]- 236.98965 146.1
[M]+ 216.01443 156.0
[M]- 216.01553 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.