CID 12383664

4,6-dichloro-2-(chloromethyl)pyrimidine

Structural Information

Molecular Formula
C5H3Cl3N2
SMILES
C1=C(N=C(N=C1Cl)CCl)Cl
InChI
InChI=1S/C5H3Cl3N2/c6-2-5-9-3(7)1-4(8)10-5/h1H,2H2
InChIKey
OGXCXLWVUKSJGE-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(chloromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

195.93619 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.943466 130.5
[M+Na]+ 218.925408 142.0
[M-H]- 194.928914 129.8
[M+NH4]+ 213.970013 148.6
[M+K]+ 234.899348 136.9
[M+H-H2O]+ 178.933450 125.4
[M+HCOO]- 240.934391 138.1
[M+CH3COO]- 254.950041 181.5
[M+Na-2H]- 216.910856 137.0
[M]+ 195.93564142 132.9
[M]- 195.93673858 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe