CID 231331

2,4-dichloro-6,7-dihydro-5h-cyclopenta[d]pyrimidine

Structural Information

Molecular Formula

C₇H₆Cl₂N₂

SMILES

C1CC2=C(C1)N=C(N=C2Cl)Cl

InChI

InChI=1S/C7H6Cl2N2/c8-6-4-2-1-3-5(4)10-7(9)11-6/h1-3H2

InChIKey

GDHHAOFBLGZCMI-UHFFFAOYSA-N

Compound name

2,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 285
Patents: 187.9908 Da
Monoisotopic Mass: 2.8
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]+	188.99808	132.6
[M+Na]+	210.98002	147.7
[M+NH4]+	206.02462	142.7
[M+K]+	226.95396	141.3
[M-H]-	186.98352	134.4
[M+Na-2H]-	208.96547	139.4
[M]+	187.99025	135.9
[M]-	187.99135	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe