CID 130138956

5-bromo-4-chloropyrimidine-2-carbonitrile

Structural Information

Molecular Formula
C5HBrClN3
SMILES
C1=C(C(=NC(=N1)C#N)Cl)Br
InChI
InChI=1S/C5HBrClN3/c6-3-2-9-4(1-8)10-5(3)7/h2H
InChIKey
HYFBHQQMMGKBFU-UHFFFAOYSA-N
Compound name
5-bromo-4-chloropyrimidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.90424 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.91152 124.1
[M+Na]+ 239.89346 140.2
[M-H]- 215.89696 126.4
[M+NH4]+ 234.93806 142.7
[M+K]+ 255.86740 128.0
[M+H-H2O]+ 199.90150 117.3
[M+HCOO]- 261.90244 139.7
[M+CH3COO]- 275.91809 194.3
[M+Na-2H]- 237.87891 133.5
[M]+ 216.90369 137.6
[M]- 216.90479 137.6
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

No patent data available for this compound.