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: 81
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	132.4
[M+Na]+	214.97494	143.4
[M-H]-	190.97844	131.6
[M+NH4]+	210.01954	150.2
[M+K]+	230.94888	138.4
[M+H-H2O]+	174.98298	127.1
[M+HCOO]-	236.98392	144.1
[M+CH3COO]-	250.99957	178.0
[M+Na-2H]-	212.96039	139.1
[M]+	191.98517	135.0
[M]-	191.98627	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe