CID 155820362

3-fluoropyridine-2,6-dicarbonitrile

Structural Information

Molecular Formula
C7H2FN3
SMILES
C1=CC(=C(N=C1C#N)C#N)F
InChI
InChI=1S/C7H2FN3/c8-6-2-1-5(3-9)11-7(6)4-10/h1-2H
InChIKey
CRMVZYMHESSGFQ-UHFFFAOYSA-N
Compound name
3-fluoropyridine-2,6-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.02327 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.03055 137.2
[M+Na]+ 170.01249 147.8
[M-H]- 146.01599 138.7
[M+NH4]+ 165.05709 150.2
[M+K]+ 185.98643 145.1
[M+H-H2O]+ 130.02053 121.2
[M+HCOO]- 192.02147 149.3
[M+CH3COO]- 206.03712 210.4
[M+Na-2H]- 167.99794 141.0
[M]+ 147.02272 128.3
[M]- 147.02382 128.3
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.