CID 71757473

6-(2,2-difluoroethoxy)pyridine-2-carbonitrile

Structural Information

Molecular Formula
C8H6F2N2O
SMILES
C1=CC(=NC(=C1)OCC(F)F)C#N
InChI
InChI=1S/C8H6F2N2O/c9-7(10)5-13-8-3-1-2-6(4-11)12-8/h1-3,7H,5H2
InChIKey
SSYANEDKQYPCCD-UHFFFAOYSA-N
Compound name
6-(2,2-difluoroethoxy)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.04482 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.052096 130.0
[M+Na]+ 207.034038 140.0
[M-H]- 183.037544 129.3
[M+NH4]+ 202.078643 146.4
[M+K]+ 223.007978 137.7
[M+H-H2O]+ 167.042080 115.2
[M+HCOO]- 229.043021 147.3
[M+CH3COO]- 243.058671 193.8
[M+Na-2H]- 205.019486 135.6
[M]+ 184.04427142 123.8
[M]- 184.04536858 123.8
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.