CID 77378

2,4,6-trichloropyrimidine

Structural Information

Molecular Formula
C4HCl3N2
SMILES
C1=C(N=C(N=C1Cl)Cl)Cl
InChI
InChI=1S/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1H
InChIKey
DPVIABCMTHHTGB-UHFFFAOYSA-N
Compound name
2,4,6-trichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

4879
Patents

181.92053 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.92781 129.0
[M+Na]+ 204.90975 145.4
[M+NH4]+ 199.95435 138.3
[M+K]+ 220.88369 137.3
[M-H]- 180.91325 130.4
[M+Na-2H]- 202.89520 137.4
[M]+ 181.91998 132.7
[M]- 181.92108 132.7
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