CID 600353

2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine

Structural Information

Molecular Formula
C7H7Cl3N2
SMILES
CC1=C(C(=NC(=N1)Cl)Cl)CCCl
InChI
InChI=1S/C7H7Cl3N2/c1-4-5(2-3-8)6(9)12-7(10)11-4/h2-3H2,1H3
InChIKey
ZEDIRTAHPSPMSW-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-(2-chloroethyl)-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

223.96748 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.97476 139.5
[M+Na]+ 246.95670 151.0
[M-H]- 222.96020 138.7
[M+NH4]+ 242.00130 156.8
[M+K]+ 262.93064 145.5
[M+H-H2O]+ 206.96474 134.2
[M+HCOO]- 268.96568 146.4
[M+CH3COO]- 282.98133 188.3
[M+Na-2H]- 244.94215 144.1
[M]+ 223.96693 142.9
[M]- 223.96803 142.9
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