CID 50742088

3-chloro-6-fluoro-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H2ClF4N
SMILES
C1=CC(=NC(=C1Cl)C(F)(F)F)F
InChI
InChI=1S/C6H2ClF4N/c7-3-1-2-4(8)12-5(3)6(9,10)11/h1-2H
InChIKey
BBJVPWDWPJWPRV-UHFFFAOYSA-N
Compound name
3-chloro-6-fluoro-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 129.0
[M+Na]+ 221.97041 141.0
[M-H]- 197.97391 126.8
[M+NH4]+ 217.01501 148.2
[M+K]+ 237.94435 136.4
[M+H-H2O]+ 181.97845 120.7
[M+HCOO]- 243.97939 142.8
[M+CH3COO]- 257.99504 181.9
[M+Na-2H]- 219.95586 135.3
[M]+ 198.98064 125.7
[M]- 198.98174 125.7
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

No patent data available for this compound.