CID 1712519

2-bromo-4,6-diphenylpyrimidine

Structural Information

Molecular Formula
C16H11BrN2
SMILES
C1=CC=C(C=C1)C2=CC(=NC(=N2)Br)C3=CC=CC=C3
InChI
InChI=1S/C16H11BrN2/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H
InChIKey
GPGIIKKUKINTGW-UHFFFAOYSA-N
Compound name
2-bromo-4,6-diphenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

365
Patents

310.01056 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.017836 161.7
[M+Na]+ 332.999778 173.2
[M-H]- 309.003284 171.1
[M+NH4]+ 328.044383 177.2
[M+K]+ 348.973718 160.3
[M+H-H2O]+ 293.007820 159.2
[M+HCOO]- 355.008761 181.6
[M+CH3COO]- 369.024411 175.3
[M+Na-2H]- 330.985226 170.6
[M]+ 310.01001142 179.3
[M]- 310.01110858 179.3
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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