CID 11205746

4-fluoropyridine-2-carbonitrile

Structural Information

Molecular Formula
C6H3FN2
SMILES
C1=CN=C(C=C1F)C#N
InChI
InChI=1S/C6H3FN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
InChIKey
NIKWVAPXRQHXHR-UHFFFAOYSA-N
Compound name
4-fluoropyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

122.02802 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.03530 117.5
[M+Na]+ 145.01724 128.7
[M-H]- 121.02074 118.5
[M+NH4]+ 140.06184 136.4
[M+K]+ 160.99118 126.3
[M+H-H2O]+ 105.02528 104.2
[M+HCOO]- 167.02622 137.1
[M+CH3COO]- 181.04187 183.4
[M+Na-2H]- 143.00269 125.8
[M]+ 122.02747 111.1
[M]- 122.02857 111.1
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