CID 15104044

3,3,3-trifluoro-n,n-dimethylpropanamide

Structural Information

Molecular Formula
C5H8F3NO
SMILES
CN(C)C(=O)CC(F)(F)F
InChI
InChI=1S/C5H8F3NO/c1-9(2)4(10)3-5(6,7)8/h3H2,1-2H3
InChIKey
OWFVFBOEBWJIIA-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-N,N-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

155.0558 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.063076 127.0
[M+Na]+ 178.045018 134.7
[M-H]- 154.048524 125.2
[M+NH4]+ 173.089623 148.4
[M+K]+ 194.018958 135.6
[M+H-H2O]+ 138.053060 120.0
[M+HCOO]- 200.054001 147.4
[M+CH3COO]- 214.069651 181.7
[M+Na-2H]- 176.030466 131.7
[M]+ 155.05525142 124.0
[M]- 155.05634858 124.0
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

patents stripe