CID 59834796

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

Structural Information

Molecular Formula
C7H4Cl2F3N
SMILES
C1=CC(=NC(=C1CCl)Cl)C(F)(F)F
InChI
InChI=1S/C7H4Cl2F3N/c8-3-4-1-2-5(7(10,11)12)13-6(4)9/h1-2H,3H2
InChIKey
WFJHZHHDELZBRW-UHFFFAOYSA-N
Compound name
2-chloro-3-(chloromethyl)-6-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

228.96729 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.97457 136.1
[M+Na]+ 251.95651 147.9
[M-H]- 227.96001 134.4
[M+NH4]+ 247.00111 154.6
[M+K]+ 267.93045 142.1
[M+H-H2O]+ 211.96455 129.2
[M+HCOO]- 273.96549 145.6
[M+CH3COO]- 287.98114 186.8
[M+Na-2H]- 249.94196 141.8
[M]+ 228.96674 135.5
[M]- 228.96784 135.5
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