CID 37863457

2-chloro-6-methyl-3-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H5ClF3N
SMILES
CC1=NC(=C(C=C1)C(F)(F)F)Cl
InChI
InChI=1S/C7H5ClF3N/c1-4-2-3-5(6(8)12-4)7(9,10)11/h2-3H,1H3
InChIKey
DIFCQOVMVHCCHY-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-3-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
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

No literature data available for this compound.

Patent stripe

patents stripe