CID 246015

2,4,5-trichloro-6-ethylpyrimidine

Structural Information

Molecular Formula
C6H5Cl3N2
SMILES
CCC1=C(C(=NC(=N1)Cl)Cl)Cl
InChI
InChI=1S/C6H5Cl3N2/c1-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3
InChIKey
PAMHFOVFWWAYCK-UHFFFAOYSA-N
Compound name
2,4,5-trichloro-6-ethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.95183 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.95911 134.9
[M+Na]+ 232.94105 146.9
[M-H]- 208.94455 134.4
[M+NH4]+ 227.98565 152.8
[M+K]+ 248.91499 141.6
[M+H-H2O]+ 192.94909 129.9
[M+HCOO]- 254.95003 142.2
[M+CH3COO]- 268.96568 185.4
[M+Na-2H]- 230.92650 140.1
[M]+ 209.95128 138.0
[M]- 209.95238 138.0
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

No patent data available for this compound.