CID 2735285

4-amino-2-bromopyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C5H3BrN4
SMILES
C1=C(C(=NC(=N1)Br)N)C#N
InChI
InChI=1S/C5H3BrN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10)
InChIKey
CXYLLFGNJJCGHM-UHFFFAOYSA-N
Compound name
4-amino-2-bromopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

197.95412 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.96140 135.9
[M+Na]+ 220.94334 139.8
[M+NH4]+ 215.98794 137.5
[M+K]+ 236.91728 137.1
[M-H]- 196.94684 129.9
[M+Na-2H]- 218.92879 137.6
[M]+ 197.95357 132.9
[M]- 197.95467 132.9
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