CID 88575394

2-chloro-5-methyl-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H5ClF3N
SMILES
CC1=CN=C(C=C1C(F)(F)F)Cl
InChI
InChI=1S/C7H5ClF3N/c1-4-3-12-6(8)2-5(4)7(9,10)11/h2-3H,1H3
InChIKey
MXHVZQKAPDIULO-UHFFFAOYSA-N
Compound name
2-chloro-5-methyl-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

195.00626 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.01354 138.0
[M+Na]+ 217.99548 149.3
[M+NH4]+ 213.04008 144.6
[M+K]+ 233.96942 143.3
[M-H]- 193.99898 135.3
[M+Na-2H]- 215.98093 143.4
[M]+ 195.00571 138.9
[M]- 195.00681 138.9
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