CID 6453828

Pyridine, 3,4,5-trichloro-2,6-difluoro-

Structural Information

Molecular Formula
C5Cl3F2N
SMILES
C1(=C(C(=NC(=C1Cl)F)F)Cl)Cl
InChI
InChI=1S/C5Cl3F2N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKey
XOUHUCXTEKWSMO-UHFFFAOYSA-N
Compound name
3,4,5-trichloro-2,6-difluoropyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

216.90643 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.91371 128.6
[M+Na]+ 239.89565 142.1
[M-H]- 215.89915 127.4
[M+NH4]+ 234.94025 147.7
[M+K]+ 255.86959 136.1
[M+H-H2O]+ 199.90369 123.6
[M+HCOO]- 261.90463 135.7
[M+CH3COO]- 275.92028 186.3
[M+Na-2H]- 237.88110 132.9
[M]+ 216.90588 129.6
[M]- 216.90698 129.6
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