CID 45090359

4,6-dichloropyrimidin-5-ol

Structural Information

Molecular Formula
C4H2Cl2N2O
SMILES
C1=NC(=C(C(=N1)Cl)O)Cl
InChI
InChI=1S/C4H2Cl2N2O/c5-3-2(9)4(6)8-1-7-3/h1,9H
InChIKey
ADPCZUINQXBXLP-UHFFFAOYSA-N
Compound name
4,6-dichloropyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

163.95442 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.961696 123.2
[M+Na]+ 186.943638 135.0
[M-H]- 162.947144 122.7
[M+NH4]+ 181.988243 142.1
[M+K]+ 202.917578 130.6
[M+H-H2O]+ 146.951680 118.3
[M+HCOO]- 208.952621 135.6
[M+CH3COO]- 222.968271 172.1
[M+Na-2H]- 184.929086 131.0
[M]+ 163.95387142 125.1
[M]- 163.95496858 125.1
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