CID 74892042

1214377-44-2

Structural Information

Molecular Formula
C6H4F3NO
SMILES
C1=CC(=C(N=C1)F)OC(F)F
InChI
InChI=1S/C6H4F3NO/c7-5-4(11-6(8)9)2-1-3-10-5/h1-3,6H
InChIKey
OQYGGZDBOLILOK-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)-2-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

163.0245 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.031776 125.1
[M+Na]+ 186.013718 134.5
[M-H]- 162.017224 123.8
[M+NH4]+ 181.058323 144.4
[M+K]+ 201.987658 133.0
[M+H-H2O]+ 146.021760 116.3
[M+HCOO]- 208.022701 145.4
[M+CH3COO]- 222.038351 177.2
[M+Na-2H]- 183.999166 131.3
[M]+ 163.02395142 122.1
[M]- 163.02504858 122.1
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