CID 618288

5-bromo-4,6-dichloropyrimidin-2-amine

Structural Information

Molecular Formula
C4H2BrCl2N3
SMILES
C1(=C(N=C(N=C1Cl)N)Cl)Br
InChI
InChI=1S/C4H2BrCl2N3/c5-1-2(6)9-4(8)10-3(1)7/h(H2,8,9,10)
InChIKey
LAUORAFVFXRKDL-UHFFFAOYSA-N
Compound name
5-bromo-4,6-dichloropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

240.88092 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.88820 131.2
[M+Na]+ 263.87014 146.8
[M-H]- 239.87364 134.6
[M+NH4]+ 258.91474 151.2
[M+K]+ 279.84408 132.9
[M+H-H2O]+ 223.87818 131.7
[M+HCOO]- 285.87912 143.3
[M+CH3COO]- 299.89477 188.0
[M+Na-2H]- 261.85559 139.4
[M]+ 240.88037 150.5
[M]- 240.88147 150.5
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

patents stripe