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]+ 249.01921 147.5
[M+Na]+ 271.00115 158.1
[M-H]- 247.00465 148.5
[M+NH4]+ 266.04575 163.9
[M+K]+ 286.97509 154.1
[M+H-H2O]+ 231.00919 142.0
[M+HCOO]- 293.01013 157.7
[M+CH3COO]- 307.02578 191.1
[M+Na-2H]- 268.98660 152.8
[M]+ 248.01138 152.9
[M]- 248.01248 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.