CID 5072307

2-chloro-5-fluoro-n-methylpyrimidin-4-amine

Structural Information

Molecular Formula

C₅H₅ClFN₃

SMILES

CNC1=NC(=NC=C1F)Cl

InChI

InChI=1S/C5H5ClFN3/c1-8-4-3(7)2-9-5(6)10-4/h2H,1H3,(H,8,9,10)

InChIKey

VYADLELCFPIRRE-UHFFFAOYSA-N

Compound name

2-chloro-5-fluoro-N-methylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 186
Patents: 161.01561 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]+	162.02289	125.4
[M+Na]+	184.00483	138.9
[M+NH4]+	179.04943	133.5
[M+K]+	199.97877	132.4
[M-H]-	160.00833	125.9
[M+Na-2H]-	181.99028	133.0
[M]+	161.01506	127.6
[M]-	161.01616	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe