CID 463754

Chembl5567627

Structural Information

Molecular Formula
C18H12Cl4N2
SMILES
C1=CC=C(C=C1)CC(C2=CC=C(C=C2)Cl)C3=C(N=C(N=C3Cl)Cl)Cl
InChI
InChI=1S/C18H12Cl4N2/c19-13-8-6-12(7-9-13)14(10-11-4-2-1-3-5-11)15-16(20)23-18(22)24-17(15)21/h1-9,14H,10H2
InChIKey
FZIDXCSMFNKDLH-UHFFFAOYSA-N
Compound name
2,4,6-trichloro-5-[1-(4-chlorophenyl)-2-phenylethyl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.97546 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.98274 181.8
[M+Na]+ 418.96468 191.3
[M-H]- 394.96818 184.4
[M+NH4]+ 414.00928 191.3
[M+K]+ 434.93862 183.2
[M+H-H2O]+ 378.97272 172.4
[M+HCOO]- 440.97366 181.2
[M+CH3COO]- 454.98931 189.7
[M+Na-2H]- 416.95013 182.3
[M]+ 395.97491 184.5
[M]- 395.97601 184.5
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.