CID 14913802

4-chloro-5-iodo-2,6-dimethoxypyrimidine

Structural Information

Molecular Formula
C6H6ClIN2O2
SMILES
COC1=C(C(=NC(=N1)OC)Cl)I
InChI
InChI=1S/C6H6ClIN2O2/c1-11-5-3(8)4(7)9-6(10-5)12-2/h1-2H3
InChIKey
XCUWJUCSKOUCEN-UHFFFAOYSA-N
Compound name
4-chloro-5-iodo-2,6-dimethoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.91626 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.92354 138.3
[M+Na]+ 322.90548 142.9
[M-H]- 298.90898 133.2
[M+NH4]+ 317.95008 151.9
[M+K]+ 338.87942 146.3
[M+H-H2O]+ 282.91352 128.7
[M+HCOO]- 344.91446 152.1
[M+CH3COO]- 358.93011 190.3
[M+Na-2H]- 320.89093 133.6
[M]+ 299.91571 141.3
[M]- 299.91681 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.