CID 21278621

2,5-dichloro-4-methylpyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

161.97516 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.98244 124.6
[M+Na]+ 184.96438 136.4
[M-H]- 160.96788 125.2
[M+NH4]+ 180.00898 144.3
[M+K]+ 200.93832 132.1
[M+H-H2O]+ 144.97242 119.3
[M+HCOO]- 206.97336 137.8
[M+CH3COO]- 220.98901 175.7
[M+Na-2H]- 182.94983 132.3
[M]+ 161.97461 127.2
[M]- 161.97571 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

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