CID 74508

2,4-dichloro-5-methylpyrimidine

Structural Information

Molecular Formula
C5H4Cl2N2
SMILES
CC1=CN=C(N=C1Cl)Cl
InChI
InChI=1S/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3
InChIKey
DQXNTSXKIUZJJS-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2701
Patents

161.97516 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.982436 124.6
[M+Na]+ 184.964378 136.4
[M-H]- 160.967884 125.2
[M+NH4]+ 180.008983 144.3
[M+K]+ 200.938318 132.1
[M+H-H2O]+ 144.972420 119.3
[M+HCOO]- 206.973361 137.8
[M+CH3COO]- 220.989011 175.7
[M+Na-2H]- 182.949826 132.3
[M]+ 161.97461142 127.2
[M]- 161.97570858 127.2
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