CID 104701021

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

Structural Information

Molecular Formula
C9H11BrF3NO2
SMILES
C1CCC(C1)(C(=O)CBr)NC(=O)C(F)(F)F
InChI
InChI=1S/C9H11BrF3NO2/c10-5-6(15)8(3-1-2-4-8)14-7(16)9(11,12)13/h1-5H2,(H,14,16)
InChIKey
OTWWGJHBLGQACO-UHFFFAOYSA-N
Compound name
N-[1-(2-bromoacetyl)cyclopentyl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.99252 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.99980 161.8
[M+Na]+ 323.98174 171.0
[M-H]- 299.98524 163.6
[M+NH4]+ 319.02634 183.2
[M+K]+ 339.95568 160.1
[M+H-H2O]+ 283.98978 160.3
[M+HCOO]- 345.99072 176.9
[M+CH3COO]- 360.00637 197.2
[M+Na-2H]- 321.96719 164.5
[M]+ 300.99197 173.7
[M]- 300.99307 173.7
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.