CID 66320185

5-bromo-4-(4-bromo-1h-pyrazol-1-yl)pyrimidine

Structural Information

Molecular Formula
C7H4Br2N4
SMILES
C1=C(C(=NC=N1)N2C=C(C=N2)Br)Br
InChI
InChI=1S/C7H4Br2N4/c8-5-1-12-13(3-5)7-6(9)2-10-4-11-7/h1-4H
InChIKey
RLDWALMRQOLFPG-UHFFFAOYSA-N
Compound name
5-bromo-4-(4-bromopyrazol-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.88028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.88756 132.6
[M+Na]+ 324.86950 145.7
[M-H]- 300.87300 138.6
[M+NH4]+ 319.91410 149.4
[M+K]+ 340.84344 131.2
[M+H-H2O]+ 284.87754 140.3
[M+HCOO]- 346.87848 148.2
[M+CH3COO]- 360.89413 147.3
[M+Na-2H]- 322.85495 141.7
[M]+ 301.87973 167.2
[M]- 301.88083 167.2
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.