CID 45480299

5-bromo-4-chlorothieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C6H2BrClN2S
SMILES
C1=C(C2=C(S1)N=CN=C2Cl)Br
InChI
InChI=1S/C6H2BrClN2S/c7-3-1-11-6-4(3)5(8)9-2-10-6/h1-2H
InChIKey
IKCKRHCJPVDELP-UHFFFAOYSA-N
Compound name
5-bromo-4-chlorothieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

247.88106 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.88834 132.7
[M+Na]+ 270.87028 138.9
[M+NH4]+ 265.91488 139.4
[M+K]+ 286.84422 137.5
[M-H]- 246.87378 133.7
[M+Na-2H]- 268.85573 137.4
[M]+ 247.88051 133.5
[M]- 247.88161 133.5
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