CID 75530156

5-fluoropyrazine-2-carbonitrile

Structural Information

Molecular Formula
C5H2FN3
SMILES
C1=C(N=CC(=N1)F)C#N
InChI
InChI=1S/C5H2FN3/c6-5-3-8-4(1-7)2-9-5/h2-3H
InChIKey
ZABZAXZUTUSDGA-UHFFFAOYSA-N
Compound name
5-fluoropyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.02328 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.03056 115.9
[M+Na]+ 146.01250 127.0
[M-H]- 122.01600 115.2
[M+NH4]+ 141.05710 133.3
[M+K]+ 161.98644 125.1
[M+H-H2O]+ 106.02054 101.5
[M+HCOO]- 168.02148 134.4
[M+CH3COO]- 182.03713 183.1
[M+Na-2H]- 143.99795 124.6
[M]+ 123.02273 109.4
[M]- 123.02383 109.4
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.