CID 67717

Trifluoroacetamide

Structural Information

Molecular Formula
C2H2F3NO
SMILES
C(=O)(C(F)(F)F)N
InChI
InChI=1S/C2H2F3NO/c3-2(4,5)1(6)7/h(H2,6,7)
InChIKey
NRKYWOKHZRQRJR-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

93
References

34010
Patents

113.00885 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.01613 113.7
[M+Na]+ 135.99807 122.3
[M-H]- 112.00157 110.3
[M+NH4]+ 131.04267 135.7
[M+K]+ 151.97201 122.2
[M+H-H2O]+ 96.006110 107.4
[M+HCOO]- 158.00705 133.9
[M+CH3COO]- 172.02270 168.9
[M+Na-2H]- 133.98352 119.7
[M]+ 113.00830 107.3
[M]- 113.00940 107.3
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.