CID 4095205

4-(trifluoroacetamido)pyridine

Structural Information

Molecular Formula
C7H5F3N2O
SMILES
C1=CN=CC=C1NC(=O)C(F)(F)F
InChI
InChI=1S/C7H5F3N2O/c8-7(9,10)6(13)12-5-1-3-11-4-2-5/h1-4H,(H,11,12,13)
InChIKey
WQSUOLIZDLLWDZ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-pyridin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.0354 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.042676 133.7
[M+Na]+ 213.024618 141.8
[M-H]- 189.028124 132.3
[M+NH4]+ 208.069223 151.5
[M+K]+ 228.998558 139.7
[M+H-H2O]+ 173.032660 124.8
[M+HCOO]- 235.033601 153.3
[M+CH3COO]- 249.049251 181.9
[M+Na-2H]- 211.010066 141.0
[M]+ 190.03485142 128.5
[M]- 190.03594858 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

patents stripe