CID 20496374

2,3,5-trichloro-4-trifluoromethyl pyridine

Structural Information

Molecular Formula
C6HCl3F3N
SMILES
C1=C(C(=C(C(=N1)Cl)Cl)C(F)(F)F)Cl
InChI
InChI=1S/C6HCl3F3N/c7-2-1-13-5(9)4(8)3(2)6(10,11)12/h1H
InChIKey
IYTBJJNRARXXST-UHFFFAOYSA-N
Compound name
2,3,5-trichloro-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

248.91267 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.91995 136.5
[M+Na]+ 271.90189 149.2
[M-H]- 247.90539 134.0
[M+NH4]+ 266.94649 154.2
[M+K]+ 287.87583 142.9
[M+H-H2O]+ 231.90993 130.4
[M+HCOO]- 293.91087 140.8
[M+CH3COO]- 307.92652 190.4
[M+Na-2H]- 269.88734 140.9
[M]+ 248.91212 135.8
[M]- 248.91322 135.8
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