CID 12278258

60025-05-0

Structural Information

Molecular Formula

C₆H₆Cl₂N₂O

SMILES

CC(C1=C(N=CN=C1Cl)Cl)O

InChI

InChI=1S/C6H6Cl2N2O/c1-3(11)4-5(7)9-2-10-6(4)8/h2-3,11H,1H3

InChIKey

VHPCRQZVRSYZNF-UHFFFAOYSA-N

Compound name

1-(4,6-dichloropyrimidin-5-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 191.98572 Da
Monoisotopic Mass: 1.6
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	131.7
[M+Na]+	214.97494	142.5
[M-H]-	190.97844	131.2
[M+NH4]+	210.01954	149.6
[M+K]+	230.94888	138.0
[M+H-H2O]+	174.98298	126.7
[M+HCOO]-	236.98392	142.6
[M+CH3COO]-	250.99957	178.9
[M+Na-2H]-	212.96039	137.4
[M]+	191.98517	133.9
[M]-	191.98627	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe