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]+ 199.988466 129.0
[M+Na]+ 221.970408 141.0
[M-H]- 197.973914 126.8
[M+NH4]+ 217.015013 148.2
[M+K]+ 237.944348 136.4
[M+H-H2O]+ 181.978450 120.7
[M+HCOO]- 243.979391 142.8
[M+CH3COO]- 257.995041 181.9
[M+Na-2H]- 219.955856 135.3
[M]+ 198.98064142 125.7
[M]- 198.98173858 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.