CID 82781517

4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine

Structural Information

Molecular Formula
C10H4BrCl3N2
SMILES
C1=CC(=C(C=C1Br)Cl)C2=CC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C10H4BrCl3N2/c11-5-1-2-6(7(12)3-5)8-4-9(13)16-10(14)15-8/h1-4H
InChIKey
LGXLUWNKIMWYGZ-UHFFFAOYSA-N
Compound name
4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.86234 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.86962 150.6
[M+Na]+ 358.85156 166.6
[M-H]- 334.85506 156.0
[M+NH4]+ 353.89616 167.6
[M+K]+ 374.82550 151.8
[M+H-H2O]+ 318.85960 150.6
[M+HCOO]- 380.86054 156.6
[M+CH3COO]- 394.87619 164.6
[M+Na-2H]- 356.83701 157.3
[M]+ 335.86179 171.7
[M]- 335.86289 171.7
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.