CID 2736626

2-chloro-6-methyl-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H5ClF3N
SMILES
CC1=CC(=CC(=N1)Cl)C(F)(F)F
InChI
InChI=1S/C7H5ClF3N/c1-4-2-5(7(9,10)11)3-6(8)12-4/h2-3H,1H3
InChIKey
SXLBWNSGCIEART-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

470
Patents

195.00626 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.013536 131.3
[M+Na]+ 217.995478 142.9
[M-H]- 193.998984 130.4
[M+NH4]+ 213.040083 150.9
[M+K]+ 233.969418 138.5
[M+H-H2O]+ 178.003520 123.9
[M+HCOO]- 240.004461 145.9
[M+CH3COO]- 254.020111 182.1
[M+Na-2H]- 215.980926 137.8
[M]+ 195.00571142 129.6
[M]- 195.00680858 129.6
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