CID 24903513

2,4-dichloro-5-fluoro-6-methylpyrimidine

Structural Information

Molecular Formula

C₅H₃Cl₂FN₂

SMILES

CC1=C(C(=NC(=N1)Cl)Cl)F

InChI

InChI=1S/C5H3Cl2FN2/c1-2-3(8)4(6)10-5(7)9-2/h1H3

InChIKey

IYGLMCCNOPCDCR-UHFFFAOYSA-N

Compound name

2,4-dichloro-5-fluoro-6-methylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 179.96573 Da
Monoisotopic Mass: 2.6
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]+	180.97301	125.9
[M+Na]+	202.95495	138.8
[M-H]-	178.95845	125.6
[M+NH4]+	197.99955	145.2
[M+K]+	218.92889	134.0
[M+H-H2O]+	162.96299	119.9
[M+HCOO]-	224.96393	138.2
[M+CH3COO]-	238.97958	179.5
[M+Na-2H]-	200.94040	132.5
[M]+	179.96518	128.0
[M]-	179.96628	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe