CID 75525938

4-chloro-2-fluoro-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H2ClF4N
SMILES
C1=C(C(=CN=C1F)C(F)(F)F)Cl
InChI
InChI=1S/C6H2ClF4N/c7-4-1-5(8)12-2-3(4)6(9,10)11/h1-2H
InChIKey
XSPVRBOLPGXECP-UHFFFAOYSA-N
Compound name
4-chloro-2-fluoro-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.98119 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.98847 140.2
[M+Na]+ 221.97041 149.9
[M+NH4]+ 217.01501 145.6
[M+K]+ 237.94435 144.5
[M-H]- 197.97391 136.0
[M+Na-2H]- 219.95586 144.6
[M]+ 198.98064 140.4
[M]- 198.98174 140.4
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