CID 2773810

5-(chloromethyl)-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H5ClF3N
SMILES
C1=CC(=NC=C1CCl)C(F)(F)F
InChI
InChI=1S/C7H5ClF3N/c8-3-5-1-2-6(12-4-5)7(9,10)11/h1-2,4H,3H2
InChIKey
PRPAYPBERKUDKO-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

814
Patents

195.00626 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.01354 137.5
[M+Na]+ 217.99548 148.4
[M+NH4]+ 213.04008 144.0
[M+K]+ 233.96942 142.3
[M-H]- 193.99898 134.7
[M+Na-2H]- 215.98093 143.1
[M]+ 195.00571 138.3
[M]- 195.00681 138.3
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