CID 231055

2,4,5-trichloro-6-methylpyrimidine

Structural Information

Molecular Formula
C5H3Cl3N2
SMILES
CC1=C(C(=NC(=N1)Cl)Cl)Cl
InChI
InChI=1S/C5H3Cl3N2/c1-2-3(6)4(7)10-5(8)9-2/h1H3
InChIKey
IUFVGONBAUNAOT-UHFFFAOYSA-N
Compound name
2,4,5-trichloro-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

442
Patents

195.93619 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.943466 130.4
[M+Na]+ 218.925408 142.7
[M-H]- 194.928914 130.0
[M+NH4]+ 213.970013 148.8
[M+K]+ 234.899348 137.7
[M+H-H2O]+ 178.933450 125.6
[M+HCOO]- 240.934391 137.9
[M+CH3COO]- 254.950041 182.6
[M+Na-2H]- 216.910856 136.1
[M]+ 195.93564142 133.1
[M]- 195.93673858 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

No literature data available for this compound.

Patent stripe

patents stripe