CID 96453733

4-chloro-6-(4-chlorophenyl)-2-phenylpyrimidine

Structural Information

Molecular Formula
C16H10Cl2N2
SMILES
C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H10Cl2N2/c17-13-8-6-11(7-9-13)14-10-15(18)20-16(19-14)12-4-2-1-3-5-12/h1-10H
InChIKey
AMIWORWNWXAMJA-UHFFFAOYSA-N
Compound name
4-chloro-6-(4-chlorophenyl)-2-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.0221 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.02938 164.4
[M+Na]+ 323.01132 175.3
[M-H]- 299.01482 170.5
[M+NH4]+ 318.05592 177.8
[M+K]+ 338.98526 167.0
[M+H-H2O]+ 283.01936 154.8
[M+HCOO]- 345.02030 176.5
[M+CH3COO]- 359.03595 175.8
[M+Na-2H]- 320.99677 170.2
[M]+ 300.02155 166.9
[M]- 300.02265 166.9
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