CID 12369426

5-bromo-2,4,6-trichloropyrimidine

Structural Information

Molecular Formula
C4BrCl3N2
SMILES
C1(=C(N=C(N=C1Cl)Cl)Cl)Br
InChI
InChI=1S/C4BrCl3N2/c5-1-2(6)9-4(8)10-3(1)7
InChIKey
GKTWIIVEUYLSCS-UHFFFAOYSA-N
Compound name
5-bromo-2,4,6-trichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

259.83105 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.83833 129.5
[M+Na]+ 282.82027 145.9
[M-H]- 258.82377 132.2
[M+NH4]+ 277.86487 149.3
[M+K]+ 298.79421 132.2
[M+H-H2O]+ 242.82831 130.9
[M+HCOO]- 304.82925 136.0
[M+CH3COO]- 318.84490 144.6
[M+Na-2H]- 280.80572 137.6
[M]+ 259.83050 149.7
[M]- 259.83160 149.7
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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