CID 119031892

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

Structural Information

Molecular Formula
C6H2BrClN2S
SMILES
C1=C(SC2=CN=C(N=C21)Cl)Br
InChI
InChI=1S/C6H2BrClN2S/c7-5-1-3-4(11-5)2-9-6(8)10-3/h1-2H
InChIKey
MLPFDSQMVKSOGV-UHFFFAOYSA-N
Compound name
6-bromo-2-chlorothieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.88106 Da
Monoisotopic Mass

3.3
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.

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No literature data available for this compound.

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No patent data available for this compound.