CID 52202646

2-cyano-n-cyclopropyl-n-(2,2,2-trifluoroethyl)acetamide

Structural Information

Molecular Formula
C8H9F3N2O
SMILES
C1CC1N(CC(F)(F)F)C(=O)CC#N
InChI
InChI=1S/C8H9F3N2O/c9-8(10,11)5-13(6-1-2-6)7(14)3-4-12/h6H,1-3,5H2
InChIKey
CUXHFJDZDVFZBX-UHFFFAOYSA-N
Compound name
2-cyano-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07398 132.1
[M+Na]+ 229.05592 145.5
[M-H]- 205.05942 135.6
[M+NH4]+ 224.10052 146.6
[M+K]+ 245.02986 141.3
[M+H-H2O]+ 189.06396 120.0
[M+HCOO]- 251.06490 150.7
[M+CH3COO]- 265.08055 203.9
[M+Na-2H]- 227.04137 137.9
[M]+ 206.06615 128.5
[M]- 206.06725 128.5
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.