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

34201
Patents

113.00885 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.016126 113.7
[M+Na]+ 135.998068 122.3
[M-H]- 112.001574 110.3
[M+NH4]+ 131.042673 135.7
[M+K]+ 151.972008 122.2
[M+H-H2O]+ 96.006110 107.4
[M+HCOO]- 158.007051 133.9
[M+CH3COO]- 172.022701 168.9
[M+Na-2H]- 133.983516 119.7
[M]+ 113.00830142 107.3
[M]- 113.00939858 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

literature stripe

Patent stripe

patents stripe