CID 1268075

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

478
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

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Patent stripe

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