CID 71685901

4-chloro-2-(chloromethyl)-6-(propan-2-yl)pyrimidine

Structural Information

Molecular Formula
C8H10Cl2N2
SMILES
CC(C)C1=CC(=NC(=N1)CCl)Cl
InChI
InChI=1S/C8H10Cl2N2/c1-5(2)6-3-7(10)12-8(4-9)11-6/h3,5H,4H2,1-2H3
InChIKey
ZETOMBBQQWKLFZ-UHFFFAOYSA-N
Compound name
4-chloro-2-(chloromethyl)-6-propan-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.02211 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.029386 137.8
[M+Na]+ 227.011328 148.2
[M-H]- 203.014834 138.2
[M+NH4]+ 222.055933 155.9
[M+K]+ 242.985268 143.6
[M+H-H2O]+ 187.019370 132.0
[M+HCOO]- 249.020311 149.2
[M+CH3COO]- 263.035961 185.4
[M+Na-2H]- 224.996776 142.9
[M]+ 204.02156142 141.1
[M]- 204.02265858 141.1
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

No patent data available for this compound.