CID 15141648

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

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

42
Patents

191.98572 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.99300 134.0
[M+Na]+ 214.97494 148.7
[M+NH4]+ 210.01954 142.2
[M+K]+ 230.94888 142.3
[M-H]- 190.97844 134.5
[M+Na-2H]- 212.96039 140.8
[M]+ 191.98517 136.8
[M]- 191.98627 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe