CID 129917085

4,6-dichloro-5-(chloromethyl)pyrimidine

Structural Information

Molecular Formula
C5H3Cl3N2
SMILES
C1=NC(=C(C(=N1)Cl)CCl)Cl
InChI
InChI=1S/C5H3Cl3N2/c6-1-3-4(7)9-2-10-5(3)8/h2H,1H2
InChIKey
CYVVUMDEFKMQGA-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-(chloromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

195.93619 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe