CID 13091086

4-chloro-2-(chloromethyl)-5-methylpyrimidine

Structural Information

Molecular Formula
C6H6Cl2N2
SMILES
CC1=CN=C(N=C1Cl)CCl
InChI
InChI=1S/C6H6Cl2N2/c1-4-3-9-5(2-7)10-6(4)8/h3H,2H2,1H3
InChIKey
IALYKTKMRHFAQR-UHFFFAOYSA-N
Compound name
4-chloro-2-(chloromethyl)-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.9908 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.998076 129.2
[M+Na]+ 198.980018 140.7
[M-H]- 174.983524 129.7
[M+NH4]+ 194.024623 148.4
[M+K]+ 214.953958 136.1
[M+H-H2O]+ 158.988060 123.7
[M+HCOO]- 220.989001 142.1
[M+CH3COO]- 235.004651 178.7
[M+Na-2H]- 196.965466 136.4
[M]+ 175.99025142 132.3
[M]- 175.99134858 132.3
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.