CID 20213014

3-chloro-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3ClF3N
SMILES
C1=CC(=C(N=C1)C(F)(F)F)Cl
InChI
InChI=1S/C6H3ClF3N/c7-4-2-1-3-11-5(4)6(8,9)10/h1-3H
InChIKey
IJOSVNBGIKAARU-UHFFFAOYSA-N
Compound name
3-chloro-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

180.99062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.997896 126.9
[M+Na]+ 203.979838 138.0
[M-H]- 179.983344 125.8
[M+NH4]+ 199.024443 146.7
[M+K]+ 219.953778 133.9
[M+H-H2O]+ 163.987880 119.5
[M+HCOO]- 225.988821 141.8
[M+CH3COO]- 240.004471 177.9
[M+Na-2H]- 201.965286 134.6
[M]+ 180.99007142 124.5
[M]- 180.99116858 124.5
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