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

9
Patents

208.02597 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03325 136.4
[M+Na]+ 231.01519 146.4
[M-H]- 207.01869 133.8
[M+NH4]+ 226.05979 153.6
[M+K]+ 246.98913 143.4
[M+H-H2O]+ 191.02323 127.0
[M+HCOO]- 253.02417 154.2
[M+CH3COO]- 267.03982 187.2
[M+Na-2H]- 229.00064 140.6
[M]+ 208.02542 129.7
[M]- 208.02652 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