CID 83854655

5-(difluoromethyl)nicotinonitrile

Structural Information

Molecular Formula
C7H4F2N2
SMILES
C1=C(C=NC=C1C(F)F)C#N
InChI
InChI=1S/C7H4F2N2/c8-7(9)6-1-5(2-10)3-11-4-6/h1,3-4,7H
InChIKey
RPNAVUNIAMXURQ-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.03426 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04154 123.6
[M+Na]+ 177.02348 134.0
[M-H]- 153.02698 123.1
[M+NH4]+ 172.06808 141.1
[M+K]+ 192.99742 131.4
[M+H-H2O]+ 137.03152 109.1
[M+HCOO]- 199.03246 141.0
[M+CH3COO]- 213.04811 189.3
[M+Na-2H]- 175.00893 129.6
[M]+ 154.03371 115.8
[M]- 154.03481 115.8
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.