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

20
Patents

155.0558 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06308 127.0
[M+Na]+ 178.04502 134.7
[M-H]- 154.04852 125.2
[M+NH4]+ 173.08962 148.4
[M+K]+ 194.01896 135.6
[M+H-H2O]+ 138.05306 120.0
[M+HCOO]- 200.05400 147.4
[M+CH3COO]- 214.06965 181.7
[M+Na-2H]- 176.03047 131.7
[M]+ 155.05525 124.0
[M]- 155.05635 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