CID 137951451

Methyl 2-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate

Structural Information

Molecular Formula
C9H10Cl2N2O2
SMILES
CC(C)(C1=C(N=CN=C1Cl)Cl)C(=O)OC
InChI
InChI=1S/C9H10Cl2N2O2/c1-9(2,8(14)15-3)5-6(10)12-4-13-7(5)11/h4H,1-3H3
InChIKey
XLWOQXXUCGURKA-UHFFFAOYSA-N
Compound name
methyl 2-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.01193 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.019206 147.5
[M+Na]+ 271.001148 158.1
[M-H]- 247.004654 148.5
[M+NH4]+ 266.045753 163.9
[M+K]+ 286.975088 154.1
[M+H-H2O]+ 231.009190 142.0
[M+HCOO]- 293.010131 157.7
[M+CH3COO]- 307.025781 191.1
[M+Na-2H]- 268.986596 152.8
[M]+ 248.01138142 152.9
[M]- 248.01247858 152.9
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

No patent data available for this compound.