CID 18326422

7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine

Structural Information

Molecular Formula
C6HBrCl2N2S
SMILES
C1=C(C2=C(S1)C(=NC(=N2)Cl)Cl)Br
InChI
InChI=1S/C6HBrCl2N2S/c7-2-1-12-4-3(2)10-6(9)11-5(4)8/h1H
InChIKey
SELNIRJYLYMJKG-UHFFFAOYSA-N
Compound name
7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

184
Patents

281.8421 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.84938 133.8
[M+Na]+ 304.83132 152.9
[M-H]- 280.83482 140.0
[M+NH4]+ 299.87592 156.9
[M+K]+ 320.80526 139.0
[M+H-H2O]+ 264.83936 136.2
[M+HCOO]- 326.84030 142.7
[M+CH3COO]- 340.85595 150.7
[M+Na-2H]- 302.81677 140.7
[M]+ 281.84155 158.9
[M]- 281.84265 158.9
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