CID 72206657

2-(chloromethyl)-5-fluoropyrimidine

Structural Information

Molecular Formula

C₅H₄ClFN₂

SMILES

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

InChI

InChI=1S/C5H4ClFN2/c6-1-5-8-2-4(7)3-9-5/h2-3H,1H2

InChIKey

JTZQALAWTLCKRX-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-5-fluoropyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 146.0047 Da
Monoisotopic Mass: 0.7
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]+	147.01198	122.2
[M+Na]+	168.99392	136.6
[M+NH4]+	164.03852	130.8
[M+K]+	184.96786	129.5
[M-H]-	144.99742	122.5
[M+Na-2H]-	166.97937	130.3
[M]+	146.00415	124.6
[M]-	146.00525	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe