CID 104701056

N-[1-(2-bromoacetyl)cyclohexyl]-2,2,2-trifluoroacetamide

Structural Information

Molecular Formula
C10H13BrF3NO2
SMILES
C1CCC(CC1)(C(=O)CBr)NC(=O)C(F)(F)F
InChI
InChI=1S/C10H13BrF3NO2/c11-6-7(16)9(4-2-1-3-5-9)15-8(17)10(12,13)14/h1-6H2,(H,15,17)
InChIKey
FDPXISFIKDSMNC-UHFFFAOYSA-N
Compound name
N-[1-(2-bromoacetyl)cyclohexyl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.00818 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.01546 164.0
[M+Na]+ 337.99740 171.8
[M-H]- 314.00090 165.3
[M+NH4]+ 333.04200 183.1
[M+K]+ 353.97134 160.8
[M+H-H2O]+ 298.00544 162.1
[M+HCOO]- 360.00638 176.8
[M+CH3COO]- 374.02203 200.3
[M+Na-2H]- 335.98285 167.3
[M]+ 315.00763 174.4
[M]- 315.00873 174.4
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.