CID 65712872

4-(3-bromo-4-fluorophenyl)-2,6-dichloropyrimidine

Structural Information

Molecular Formula
C10H4BrCl2FN2
SMILES
C1=CC(=C(C=C1C2=CC(=NC(=N2)Cl)Cl)Br)F
InChI
InChI=1S/C10H4BrCl2FN2/c11-6-3-5(1-2-7(6)14)8-4-9(12)16-10(13)15-8/h1-4H
InChIKey
BGEHRXVGRZJABU-UHFFFAOYSA-N
Compound name
4-(3-bromo-4-fluorophenyl)-2,6-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.89188 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.89916 150.1
[M+Na]+ 342.88110 166.2
[M-H]- 318.88460 155.5
[M+NH4]+ 337.92570 167.6
[M+K]+ 358.85504 151.4
[M+H-H2O]+ 302.88914 149.0
[M+HCOO]- 364.89008 160.4
[M+CH3COO]- 378.90573 164.6
[M+Na-2H]- 340.86655 157.1
[M]+ 319.89133 170.7
[M]- 319.89243 170.7
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.