CID 237259

2,4,5-trichloropyrimidine

Structural Information

Molecular Formula
C4HCl3N2
SMILES
C1=C(C(=NC(=N1)Cl)Cl)Cl
InChI
InChI=1S/C4HCl3N2/c5-2-1-8-4(7)9-3(2)6/h1H
InChIKey
GIKMWFAAEIACRF-UHFFFAOYSA-N
Compound name
2,4,5-trichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6419
Patents

181.92053 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.927806 126.0
[M+Na]+ 204.909748 137.9
[M-H]- 180.913254 125.4
[M+NH4]+ 199.954353 144.6
[M+K]+ 220.883688 133.1
[M+H-H2O]+ 164.917790 121.1
[M+HCOO]- 226.918731 133.8
[M+CH3COO]- 240.934381 139.1
[M+Na-2H]- 202.895196 133.0
[M]+ 181.91998142 128.0
[M]- 181.92107858 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