CID 49871093

2-chloro-3-(chlorodifluoromethoxy)pyridine

Structural Information

Molecular Formula
C6H3Cl2F2NO
SMILES
C1=CC(=C(N=C1)Cl)OC(F)(F)Cl
InChI
InChI=1S/C6H3Cl2F2NO/c7-5-4(2-1-3-11-5)12-6(8,9)10/h1-3H
InChIKey
IHPFJPKZHCUJQK-UHFFFAOYSA-N
Compound name
2-chloro-3-[chloro(difluoro)methoxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.95598 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.96326 132.4
[M+Na]+ 235.94520 143.5
[M-H]- 211.94870 131.9
[M+NH4]+ 230.98980 151.2
[M+K]+ 251.91914 138.9
[M+H-H2O]+ 195.95324 126.2
[M+HCOO]- 257.95418 143.5
[M+CH3COO]- 271.96983 182.5
[M+Na-2H]- 233.93065 139.9
[M]+ 212.95543 133.7
[M]- 212.95653 133.7
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.