CID 71721240

1804896-68-1

Structural Information

Molecular Formula
C6H2F2N2
SMILES
C1=C(C(=CN=C1F)C#N)F
InChI
InChI=1S/C6H2F2N2/c7-5-1-6(8)10-3-4(5)2-9/h1,3H
InChIKey
WSUGGVITUAMXFC-UHFFFAOYSA-N
Compound name
4,6-difluoropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.0186 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02588 117.9
[M+Na]+ 163.00782 129.8
[M-H]- 139.01132 117.9
[M+NH4]+ 158.05242 136.3
[M+K]+ 178.98176 127.2
[M+H-H2O]+ 123.01586 104.0
[M+HCOO]- 185.01680 136.6
[M+CH3COO]- 199.03245 186.9
[M+Na-2H]- 160.99327 125.1
[M]+ 140.01805 110.7
[M]- 140.01915 110.7
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.