CID 44181867

38275-55-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

244
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

literature stripe

Patent stripe

patents stripe