CID 118704060

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

Structural Information

Molecular Formula
C7H4Cl2F3N
SMILES
C1=CC(=NC(=C1Cl)CCl)C(F)(F)F
InChI
InChI=1S/C7H4Cl2F3N/c8-3-5-4(9)1-2-6(13-5)7(10,11)12/h1-2H,3H2
InChIKey
SELCIJMUQSQJQX-UHFFFAOYSA-N
Compound name
3-chloro-2-(chloromethyl)-6-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.96729 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.974566 136.1
[M+Na]+ 251.956508 147.9
[M-H]- 227.960014 134.4
[M+NH4]+ 247.001113 154.6
[M+K]+ 267.930448 142.1
[M+H-H2O]+ 211.964550 129.2
[M+HCOO]- 273.965491 145.6
[M+CH3COO]- 287.981141 186.8
[M+Na-2H]- 249.941956 141.8
[M]+ 228.96674142 135.5
[M]- 228.96783858 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

No patent data available for this compound.