CID 177796014

Pyridine, 2,5-dichloro-4-(chloromethyl)-3-fluoro-

Structural Information

Molecular Formula
C6H3Cl3FN
SMILES
C1=C(C(=C(C(=N1)Cl)F)CCl)Cl
InChI
InChI=1S/C6H3Cl3FN/c7-1-3-4(8)2-11-6(9)5(3)10/h2H,1H2
InChIKey
ACKSOIKHQYZENW-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-(chloromethyl)-3-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.9315 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.938776 132.3
[M+Na]+ 235.920718 144.4
[M-H]- 211.924224 131.9
[M+NH4]+ 230.965323 151.4
[M+K]+ 251.894658 138.6
[M+H-H2O]+ 195.928760 127.7
[M+HCOO]- 257.929701 140.0
[M+CH3COO]- 271.945351 185.4
[M+Na-2H]- 233.906166 137.1
[M]+ 212.93095142 134.2
[M]- 212.93204858 134.2
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.