CID 5324412

2,6-dichloropurine

Structural Information

Molecular Formula

C₅H₂Cl₂N₄

SMILES

C1=NC2=C(N1)C(=NC(=N2)Cl)Cl

InChI

InChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)

InChIKey

RMFWVOLULURGJI-UHFFFAOYSA-N

Compound name

2,6-dichloro-7H-purine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 28
References: 3829
Patents: 187.96565 Da
Monoisotopic Mass: 1.7
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]+	188.97293	130.8
[M+Na]+	210.95487	147.0
[M+NH4]+	205.99947	139.3
[M+K]+	226.92881	141.4
[M-H]-	186.95837	130.8
[M+Na-2H]-	208.94032	138.2
[M]+	187.96510	133.7
[M]-	187.96620	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe