CID 65711884

4-(3-bromophenyl)-2,6-dichloropyrimidine

Structural Information

Molecular Formula
C10H5BrCl2N2
SMILES
C1=CC(=CC(=C1)Br)C2=CC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C10H5BrCl2N2/c11-7-3-1-2-6(4-7)8-5-9(12)15-10(13)14-8/h1-5H
InChIKey
BYZHDVJJUARQJD-UHFFFAOYSA-N
Compound name
4-(3-bromophenyl)-2,6-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.9013 Da
Monoisotopic Mass

4.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.