CID 45790941

2,4-dichloro-5-(trifluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
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 131.4
[M+Na]+ 237.94086 143.5
[M-H]- 213.94436 129.8
[M+NH4]+ 232.98546 150.4
[M+K]+ 253.91480 138.0
[M+H-H2O]+ 197.94890 124.6
[M+HCOO]- 259.94984 141.1
[M+CH3COO]- 273.96549 183.8
[M+Na-2H]- 235.92631 137.6
[M]+ 214.95109 130.3
[M]- 214.95219 130.3
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