CID 73012058

2,4-dichloro-5-(difluoromethyl)pyrimidine

Structural Information

Molecular Formula

C₅H₂Cl₂F₂N₂

SMILES

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

InChI

InChI=1S/C5H2Cl2F2N2/c6-3-2(4(8)9)1-10-5(7)11-3/h1,4H

InChIKey

MHWMASHRIADZLN-UHFFFAOYSA-N

Compound name

2,4-dichloro-5-(difluoromethyl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 197.95631 Da
Monoisotopic Mass: 2.7
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]+	198.96359	127.1
[M+Na]+	220.94553	138.8
[M-H]-	196.94903	125.1
[M+NH4]+	215.99013	145.2
[M+K]+	236.91947	134.0
[M+H-H2O]+	180.95357	120.0
[M+HCOO]-	242.95451	137.4
[M+CH3COO]-	256.97016	181.9
[M+Na-2H]-	218.93098	132.8
[M]+	197.95576	127.3
[M]-	197.95686	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe