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]+ 205.02939 137.8
[M+Na]+ 227.01133 148.2
[M-H]- 203.01483 138.2
[M+NH4]+ 222.05593 155.9
[M+K]+ 242.98527 143.6
[M+H-H2O]+ 187.01937 132.0
[M+HCOO]- 249.02031 149.2
[M+CH3COO]- 263.03596 185.4
[M+Na-2H]- 224.99678 142.9
[M]+ 204.02156 141.1
[M]- 204.02266 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.