CID 138635110

U5ccm5sck2

Structural Information

Molecular Formula

C₁₂H₈ClFN₂

SMILES

C1=CC=C(C(=C1)C=NC2=CC(=CN=C2)F)Cl

InChI

InChI=1S/C12H8ClFN2/c13-12-4-2-1-3-9(12)6-16-11-5-10(14)7-15-8-11/h1-8H

InChIKey

HZKDCBFJWJRVGA-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)-N-(5-fluoropyridin-3-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 234.03601 Da
Monoisotopic Mass: 2.9
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]+	235.04329	147.3
[M+Na]+	257.02523	163.3
[M+NH4]+	252.06983	156.4
[M+K]+	272.99917	153.9
[M-H]-	233.02873	151.6
[M+Na-2H]-	255.01068	158.1
[M]+	234.03546	151.2
[M]-	234.03656	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe