CID 45789713

5-bromo-6-chloropyrimidin-4-amine

Structural Information

Molecular Formula
C4H3BrClN3
SMILES
C1=NC(=C(C(=N1)Cl)Br)N
InChI
InChI=1S/C4H3BrClN3/c5-2-3(6)8-1-9-4(2)7/h1H,(H2,7,8,9)
InChIKey
DQSBRYJETNYGCI-UHFFFAOYSA-N
Compound name
5-bromo-6-chloropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

206.91989 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.92717 127.0
[M+Na]+ 229.90911 141.4
[M-H]- 205.91261 130.9
[M+NH4]+ 224.95371 147.7
[M+K]+ 245.88305 128.8
[M+H-H2O]+ 189.91715 126.9
[M+HCOO]- 251.91809 144.1
[M+CH3COO]- 265.93374 182.4
[M+Na-2H]- 227.89456 136.6
[M]+ 206.91934 145.5
[M]- 206.92044 145.5
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

patents stripe