CID 468586

2,4,6-trichloro-5-[2-(3-chlorophenyl)-1-(4-chlorophenyl)ethyl]pyrimidine

Structural Information

Molecular Formula
C18H11Cl5N2
SMILES
C1=CC(=CC(=C1)Cl)CC(C2=CC=C(C=C2)Cl)C3=C(N=C(N=C3Cl)Cl)Cl
InChI
InChI=1S/C18H11Cl5N2/c19-12-6-4-11(5-7-12)14(9-10-2-1-3-13(20)8-10)15-16(21)24-18(23)25-17(15)22/h1-8,14H,9H2
InChIKey
FIOQOWLQMPLAMV-UHFFFAOYSA-N
Compound name
2,4,6-trichloro-5-[2-(3-chlorophenyl)-1-(4-chlorophenyl)ethyl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.9365 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.94378 187.0
[M+Na]+ 452.92572 196.2
[M-H]- 428.92922 187.5
[M+NH4]+ 447.97032 194.8
[M+K]+ 468.89966 189.0
[M+H-H2O]+ 412.93376 178.0
[M+HCOO]- 474.93470 180.9
[M+CH3COO]- 488.95035 193.4
[M+Na-2H]- 450.91117 185.2
[M]+ 429.93595 188.5
[M]- 429.93705 188.5
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.