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

5037
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 126.0
[M+Na]+ 204.90975 137.9
[M-H]- 180.91325 125.4
[M+NH4]+ 199.95435 144.6
[M+K]+ 220.88369 133.1
[M+H-H2O]+ 164.91779 121.1
[M+HCOO]- 226.91873 133.8
[M+CH3COO]- 240.93438 139.1
[M+Na-2H]- 202.89520 133.0
[M]+ 181.91998 128.0
[M]- 181.92108 128.0
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