CID 15765964

2-fluoropyridine-5-carbonitrile

Structural Information

Molecular Formula
C6H3FN2
SMILES
C1=CC(=NC=C1C#N)F
InChI
InChI=1S/C6H3FN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H
InChIKey
VRLVOMUVHHHJHB-UHFFFAOYSA-N
Compound name
6-fluoropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

637
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

literature stripe

Patent stripe

patents stripe