CID 12919755

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

Structural Information

Molecular Formula
C6H2F4N2O2
SMILES
C1=C(C=NC(=C1[N+](=O)[O-])F)C(F)(F)F
InChI
InChI=1S/C6H2F4N2O2/c7-5-4(12(13)14)1-3(2-11-5)6(8,9)10/h1-2H
InChIKey
GRBXIMNAPLIFHK-UHFFFAOYSA-N
Compound name
2-fluoro-3-nitro-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

210.00523 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01251 131.6
[M+Na]+ 232.99445 141.8
[M-H]- 208.99795 129.8
[M+NH4]+ 228.03905 148.7
[M+K]+ 248.96839 135.4
[M+H-H2O]+ 193.00249 127.2
[M+HCOO]- 255.00343 151.4
[M+CH3COO]- 269.01908 179.2
[M+Na-2H]- 230.97990 140.0
[M]+ 210.00468 125.3
[M]- 210.00578 125.3
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

patents stripe