CID 58851937

2,4-dichloro-5-(4-chlorophenyl)pyrimidine

Structural Information

Molecular Formula
C10H5Cl3N2
SMILES
C1=CC(=CC=C1C2=CN=C(N=C2Cl)Cl)Cl
InChI
InChI=1S/C10H5Cl3N2/c11-7-3-1-6(2-4-7)8-5-14-10(13)15-9(8)12/h1-5H
InChIKey
ISVMMUIMZFKVJP-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-(4-chlorophenyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

257.95184 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.95912 147.3
[M+Na]+ 280.94106 159.1
[M-H]- 256.94456 149.5
[M+NH4]+ 275.98566 162.9
[M+K]+ 296.91500 152.3
[M+H-H2O]+ 240.94910 140.3
[M+HCOO]- 302.95004 154.6
[M+CH3COO]- 316.96569 159.2
[M+Na-2H]- 278.92651 152.9
[M]+ 257.95129 150.1
[M]- 257.95239 150.1
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