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]+ 213.93878 132.3
[M+Na]+ 235.92072 144.4
[M-H]- 211.92422 131.9
[M+NH4]+ 230.96532 151.4
[M+K]+ 251.89466 138.6
[M+H-H2O]+ 195.92876 127.7
[M+HCOO]- 257.92970 140.0
[M+CH3COO]- 271.94535 185.4
[M+Na-2H]- 233.90617 137.1
[M]+ 212.93095 134.2
[M]- 212.93205 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.