CID 15141648

130825-17-1

Structural Information

Molecular Formula

C₆H₆Cl₂N₂O

SMILES

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

InChI

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

InChIKey

VVFDBFWZTBJSKQ-UHFFFAOYSA-N

Compound name

1-(2,4-dichloropyrimidin-5-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
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]+	192.992996	131.7
[M+Na]+	214.974938	142.5
[M-H]-	190.978444	131.2
[M+NH4]+	210.019543	149.6
[M+K]+	230.948878	138.0
[M+H-H2O]+	174.982980	126.7
[M+HCOO]-	236.983921	142.6
[M+CH3COO]-	250.999571	178.9
[M+Na-2H]-	212.960386	137.4
[M]+	191.98517142	133.9
[M]-	191.98626858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe