CID 19735262

5-(4-bromophenyl)-4,6-dichloropyrimidine

Structural Information

Molecular Formula
C10H5BrCl2N2
SMILES
C1=CC(=CC=C1C2=C(N=CN=C2Cl)Cl)Br
InChI
InChI=1S/C10H5BrCl2N2/c11-7-3-1-6(2-4-7)8-9(12)14-5-15-10(8)13/h1-5H
InChIKey
WEEFLZORZXLIJE-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-4,6-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

301.9013 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.90858 147.0
[M+Na]+ 324.89052 162.4
[M-H]- 300.89402 153.5
[M+NH4]+ 319.93512 165.1
[M+K]+ 340.86446 148.0
[M+H-H2O]+ 284.89856 146.7
[M+HCOO]- 346.89950 158.3
[M+CH3COO]- 360.91515 161.8
[M+Na-2H]- 322.87597 155.4
[M]+ 301.90075 168.3
[M]- 301.90185 168.3
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

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