CID 71743469

8-bromo-5-chloro-2-phenylimidazo[1,2-c]pyrimidine

Structural Information

Molecular Formula
C12H7BrClN3
SMILES
C1=CC=C(C=C1)C2=CN3C(=N2)C(=CN=C3Cl)Br
InChI
InChI=1S/C12H7BrClN3/c13-9-6-15-12(14)17-7-10(16-11(9)17)8-4-2-1-3-5-8/h1-7H
InChIKey
HDQCNMSMEPLRHM-UHFFFAOYSA-N
Compound name
8-bromo-5-chloro-2-phenylimidazo[1,2-c]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.9512 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.95848 155.3
[M+Na]+ 329.94042 171.6
[M-H]- 305.94392 162.6
[M+NH4]+ 324.98502 174.2
[M+K]+ 345.91436 157.8
[M+H-H2O]+ 289.94846 154.1
[M+HCOO]- 351.94940 171.7
[M+CH3COO]- 365.96505 170.5
[M+Na-2H]- 327.92587 164.0
[M]+ 306.95065 177.9
[M]- 306.95175 177.9
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

No patent data available for this compound.