CID 112234

2,3-dichloro-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H2Cl2F3N
SMILES
C1=C(C=NC(=C1Cl)Cl)C(F)(F)F
InChI
InChI=1S/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChIKey
ABNQGNFVSFKJGI-UHFFFAOYSA-N
Compound name
2,3-dichloro-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1872
Patents

214.95164 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.95892 136.1
[M+Na]+ 237.94086 147.8
[M+NH4]+ 232.98546 142.8
[M+K]+ 253.91480 141.8
[M-H]- 213.94436 133.3
[M+Na-2H]- 235.92631 141.8
[M]+ 214.95109 137.3
[M]- 214.95219 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe