CID 46311550

5-(difluoromethoxy)pyridine-2-carbonitrile

Structural Information

Molecular Formula
C7H4F2N2O
SMILES
C1=CC(=NC=C1OC(F)F)C#N
InChI
InChI=1S/C7H4F2N2O/c8-7(9)12-6-2-1-5(3-10)11-4-6/h1-2,4,7H
InChIKey
KILBGFKJJZHXOO-UHFFFAOYSA-N
Compound name
5-(difluoromethoxy)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.02917 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03645 125.9
[M+Na]+ 193.01839 136.3
[M-H]- 169.02189 125.4
[M+NH4]+ 188.06299 142.8
[M+K]+ 208.99233 134.2
[M+H-H2O]+ 153.02643 111.3
[M+HCOO]- 215.02737 143.6
[M+CH3COO]- 229.04302 191.1
[M+Na-2H]- 191.00384 132.0
[M]+ 170.02862 119.4
[M]- 170.02972 119.4
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.