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

14
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 124.9
[M+Na]+ 220.94334 138.8
[M-H]- 196.94684 126.6
[M+NH4]+ 215.98794 142.5
[M+K]+ 236.91728 128.1
[M+H-H2O]+ 180.95138 116.6
[M+HCOO]- 242.95232 144.5
[M+CH3COO]- 256.96797 194.6
[M+Na-2H]- 218.92879 133.6
[M]+ 197.95357 135.1
[M]- 197.95467 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