CID 66545196

3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide

Structural Information

Molecular Formula
C7H4F4N2O
SMILES
C1=C(C=NC(=C1F)C(=O)N)C(F)(F)F
InChI
InChI=1S/C7H4F4N2O/c8-4-1-3(7(9,10)11)2-13-5(4)6(12)14/h1-2H,(H2,12,14)
InChIKey
RENAIDXERMUVMQ-UHFFFAOYSA-N
Compound name
3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

208.02597 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.033246 136.4
[M+Na]+ 231.015188 146.4
[M-H]- 207.018694 133.8
[M+NH4]+ 226.059793 153.6
[M+K]+ 246.989128 143.4
[M+H-H2O]+ 191.023230 127.0
[M+HCOO]- 253.024171 154.2
[M+CH3COO]- 267.039821 187.2
[M+Na-2H]- 229.000636 140.6
[M]+ 208.02542142 129.7
[M]- 208.02651858 129.7
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