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

25
Patents

197.95412 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.961396 124.9
[M+Na]+ 220.943338 138.8
[M-H]- 196.946844 126.6
[M+NH4]+ 215.987943 142.5
[M+K]+ 236.917278 128.1
[M+H-H2O]+ 180.951380 116.6
[M+HCOO]- 242.952321 144.5
[M+CH3COO]- 256.967971 194.6
[M+Na-2H]- 218.928786 133.6
[M]+ 197.95357142 135.1
[M]- 197.95466858 135.1
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