CID 50989408

2-chloro-5-(difluoromethoxy)pyridine

Structural Information

Molecular Formula
C6H4ClF2NO
SMILES
C1=CC(=NC=C1OC(F)F)Cl
InChI
InChI=1S/C6H4ClF2NO/c7-5-2-1-4(3-10-5)11-6(8)9/h1-3,6H
InChIKey
GNBOJOIPODQJBW-UHFFFAOYSA-N
Compound name
2-chloro-5-(difluoromethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

178.99495 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.00223 126.7
[M+Na]+ 201.98417 136.9
[M-H]- 177.98767 126.6
[M+NH4]+ 197.02877 146.3
[M+K]+ 217.95811 133.8
[M+H-H2O]+ 161.99221 119.6
[M+HCOO]- 223.99315 143.5
[M+CH3COO]- 238.00880 178.2
[M+Na-2H]- 199.96962 133.2
[M]+ 178.99440 126.9
[M]- 178.99550 126.9
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