CID 91895503

2-chloro-3-fluoro-5-(trifluoromethoxy)pyridine

Structural Information

Molecular Formula
C6H2ClF4NO
SMILES
C1=C(C=NC(=C1F)Cl)OC(F)(F)F
InChI
InChI=1S/C6H2ClF4NO/c7-5-4(8)1-3(2-12-5)13-6(9,10)11/h1-2H
InChIKey
HKZIOKPUEUOATH-UHFFFAOYSA-N
Compound name
2-chloro-3-fluoro-5-(trifluoromethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.9761 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.98338 132.0
[M+Na]+ 237.96532 144.0
[M-H]- 213.96882 129.9
[M+NH4]+ 233.00992 150.6
[M+K]+ 253.93926 140.0
[M+H-H2O]+ 197.97336 123.6
[M+HCOO]- 259.97430 146.1
[M+CH3COO]- 273.98995 183.9
[M+Na-2H]- 235.95077 138.5
[M]+ 214.97555 130.2
[M]- 214.97665 130.2
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.