CID 250705

2,4-dichloro-5-fluoropyrimidine

Structural Information

Molecular Formula

C₄HCl₂FN₂

SMILES

C1=C(C(=NC(=N1)Cl)Cl)F

InChI

InChI=1S/C4HCl2FN2/c5-3-2(7)1-8-4(6)9-3/h1H

InChIKey

WHPFEQUEHBULBW-UHFFFAOYSA-N

Compound name

2,4-dichloro-5-fluoropyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4694
Patents: 165.95009 Da
Monoisotopic Mass: 2.2
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]+	166.95737	121.5
[M+Na]+	188.93931	133.8
[M-H]-	164.94281	120.9
[M+NH4]+	183.98391	141.0
[M+K]+	204.91325	129.3
[M+H-H2O]+	148.94735	115.4
[M+HCOO]-	210.94829	134.0
[M+CH3COO]-	224.96394	175.4
[M+Na-2H]-	186.92476	129.3
[M]+	165.94954	122.8
[M]-	165.95064	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe