CID 52988146

853680-74-7

Structural Information

Molecular Formula

C₆H₆Cl₂N₂O

SMILES

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

InChI

InChI=1S/C6H6Cl2N2O/c7-5-4(1-2-11)6(8)10-3-9-5/h3,11H,1-2H2

InChIKey

OTBRMFUGQGCCMO-UHFFFAOYSA-N

Compound name

2-(4,6-dichloropyrimidin-5-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 191.98572 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]+	192.99300	133.8
[M+Na]+	214.97494	148.9
[M+NH4]+	210.01954	142.2
[M+K]+	230.94888	141.7
[M-H]-	190.97844	134.5
[M+Na-2H]-	212.96039	141.0
[M]+	191.98517	136.7
[M]-	191.98627	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe