CID 53302035

2-chloro-3-(difluoromethoxy)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

178.99495 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.002226 126.7
[M+Na]+ 201.984168 136.9
[M-H]- 177.987674 126.6
[M+NH4]+ 197.028773 146.3
[M+K]+ 217.958108 133.8
[M+H-H2O]+ 161.992210 119.6
[M+HCOO]- 223.993151 143.5
[M+CH3COO]- 238.008801 178.2
[M+Na-2H]- 199.969616 133.2
[M]+ 178.99440142 126.9
[M]- 178.99549858 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