CID 118845170

4,5-difluoropyridine-2-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

140.0186 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.025876 117.9
[M+Na]+ 163.007818 129.8
[M-H]- 139.011324 117.9
[M+NH4]+ 158.052423 136.3
[M+K]+ 178.981758 127.2
[M+H-H2O]+ 123.015860 104.0
[M+HCOO]- 185.016801 136.6
[M+CH3COO]- 199.032451 186.9
[M+Na-2H]- 160.993266 125.1
[M]+ 140.01805142 110.7
[M]- 140.01914858 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

patents stripe