CID 21698474

4-chloro-6-(chloromethyl)pyrimidine

Structural Information

Molecular Formula
C5H4Cl2N2
SMILES
C1=C(N=CN=C1Cl)CCl
InChI
InChI=1S/C5H4Cl2N2/c6-2-4-1-5(7)9-3-8-4/h1,3H,2H2
InChIKey
UICZKLGFGMANCR-UHFFFAOYSA-N
Compound name
4-chloro-6-(chloromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

161.97516 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.982436 124.8
[M+Na]+ 184.964378 135.7
[M-H]- 160.967884 125.0
[M+NH4]+ 180.008983 144.2
[M+K]+ 200.938318 131.4
[M+H-H2O]+ 144.972420 119.1
[M+HCOO]- 206.973361 138.0
[M+CH3COO]- 220.989011 174.7
[M+Na-2H]- 182.949826 133.2
[M]+ 161.97461142 127.1
[M]- 161.97570858 127.1
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

patents stripe