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]+ 164.96170 123.2
[M+Na]+ 186.94364 135.0
[M-H]- 162.94714 122.7
[M+NH4]+ 181.98824 142.1
[M+K]+ 202.91758 130.6
[M+H-H2O]+ 146.95168 118.3
[M+HCOO]- 208.95262 135.6
[M+CH3COO]- 222.96827 172.1
[M+Na-2H]- 184.92909 131.0
[M]+ 163.95387 125.1
[M]- 163.95497 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