CID 46738683

6-chloro-5-fluoronicotinonitrile

Structural Information

Molecular Formula

C₆H₂ClFN₂

SMILES

C1=C(C=NC(=C1F)Cl)C#N

InChI

InChI=1S/C6H2ClFN2/c7-6-5(8)1-4(2-9)3-10-6/h1,3H

InChIKey

RDXGTBCVXXDZSO-UHFFFAOYSA-N

Compound name

6-chloro-5-fluoropyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 155.98906 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	156.99634	122.6
[M+Na]+	178.97828	135.5
[M-H]-	154.98178	123.7
[M+NH4]+	174.02288	141.4
[M+K]+	194.95222	131.2
[M+H-H2O]+	138.98632	110.2
[M+HCOO]-	200.98726	138.1
[M+CH3COO]-	215.00291	187.8
[M+Na-2H]-	176.96373	129.8
[M]+	155.98851	118.2
[M]-	155.98961	118.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe