CID 18954644

3-(difluoromethoxy)pyridine

Structural Information

Molecular Formula
C6H5F2NO
SMILES
C1=CC(=CN=C1)OC(F)F
InChI
InChI=1S/C6H5F2NO/c7-6(8)10-5-2-1-3-9-4-5/h1-4,6H
InChIKey
IUTBESJQBGXNPC-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

397
Patents

145.03392 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.041196 122.9
[M+Na]+ 168.023138 131.4
[M-H]- 144.026644 122.6
[M+NH4]+ 163.067743 142.7
[M+K]+ 183.997078 130.2
[M+H-H2O]+ 128.031180 114.8
[M+HCOO]- 190.032121 144.3
[M+CH3COO]- 204.047771 173.3
[M+Na-2H]- 166.008586 130.4
[M]+ 145.03337142 120.7
[M]- 145.03446858 120.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe