CID 232789

2,4,6-trichloro-5-methylpyrimidine

Structural Information

Molecular Formula
C5H3Cl3N2
SMILES
CC1=C(N=C(N=C1Cl)Cl)Cl
InChI
InChI=1S/C5H3Cl3N2/c1-2-3(6)9-5(8)10-4(2)7/h1H3
InChIKey
VTSWSQGDJQFXHB-UHFFFAOYSA-N
Compound name
2,4,6-trichloro-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1478
Patents

195.93619 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.94347 130.4
[M+Na]+ 218.92541 142.7
[M-H]- 194.92891 130.0
[M+NH4]+ 213.97001 148.8
[M+K]+ 234.89935 137.7
[M+H-H2O]+ 178.93345 125.6
[M+HCOO]- 240.93439 137.9
[M+CH3COO]- 254.95004 182.6
[M+Na-2H]- 216.91086 136.1
[M]+ 195.93564 133.1
[M]- 195.93674 133.1
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