CID 87720230

4,5-dibromopyrimidin-2-amine

Structural Information

Molecular Formula
C4H3Br2N3
SMILES
C1=C(C(=NC(=N1)N)Br)Br
InChI
InChI=1S/C4H3Br2N3/c5-2-1-8-4(7)9-3(2)6/h1H,(H2,7,8,9)
InChIKey
FVYSGBWDGNOKBV-UHFFFAOYSA-N
Compound name
4,5-dibromopyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.86937 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.87665 123.8
[M+Na]+ 273.85859 135.9
[M-H]- 249.86209 128.6
[M+NH4]+ 268.90319 142.2
[M+K]+ 289.83253 120.3
[M+H-H2O]+ 233.86663 131.1
[M+HCOO]- 295.86757 140.1
[M+CH3COO]- 309.88322 197.4
[M+Na-2H]- 271.84404 133.3
[M]+ 250.86882 156.4
[M]- 250.86992 156.4
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