CID 12225261

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

Structural Information

Molecular Formula
C6H2BrClN2S
SMILES
C1=C(SC2=C1C(=NC=N2)Cl)Br
InChI
InChI=1S/C6H2BrClN2S/c7-4-1-3-5(8)9-2-10-6(3)11-4/h1-2H
InChIKey
CMIXHHOZGMSYKN-UHFFFAOYSA-N
Compound name
6-bromo-4-chlorothieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

178
Patents

247.88106 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.88834 128.9
[M+Na]+ 270.87028 147.1
[M-H]- 246.87378 135.5
[M+NH4]+ 265.91488 152.8
[M+K]+ 286.84422 134.2
[M+H-H2O]+ 230.87832 130.8
[M+HCOO]- 292.87926 142.9
[M+CH3COO]- 306.89491 146.4
[M+Na-2H]- 268.85573 137.2
[M]+ 247.88051 153.4
[M]- 247.88161 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe