CID 104701384

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

Structural Information

Molecular Formula
C7H7BrF3NO2
SMILES
C1CC1(C(=O)CBr)NC(=O)C(F)(F)F
InChI
InChI=1S/C7H7BrF3NO2/c8-3-4(13)6(1-2-6)12-5(14)7(9,10)11/h1-3H2,(H,12,14)
InChIKey
WSCDFOYZHPAMKO-UHFFFAOYSA-N
Compound name
N-[1-(2-bromoacetyl)cyclopropyl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.96124 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.96852 146.6
[M+Na]+ 295.95046 158.8
[M-H]- 271.95396 150.1
[M+NH4]+ 290.99506 163.2
[M+K]+ 311.92440 147.4
[M+H-H2O]+ 255.95850 144.9
[M+HCOO]- 317.95944 163.1
[M+CH3COO]- 331.97509 196.4
[M+Na-2H]- 293.93591 152.5
[M]+ 272.96069 162.8
[M]- 272.96179 162.8
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.