CID 56965724

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

Structural Information

Molecular Formula
C6H2BrClN2S
SMILES
C1=C2C(=NC(=N1)Cl)C(=CS2)Br
InChI
InChI=1S/C6H2BrClN2S/c7-3-2-11-4-1-9-6(8)10-5(3)4/h1-2H
InChIKey
OJKRQQNUFWOJAV-UHFFFAOYSA-N
Compound name
7-bromo-2-chlorothieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

247.88106 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.888336 128.9
[M+Na]+ 270.870278 147.1
[M-H]- 246.873784 135.5
[M+NH4]+ 265.914883 152.8
[M+K]+ 286.844218 134.2
[M+H-H2O]+ 230.878320 130.8
[M+HCOO]- 292.879261 142.9
[M+CH3COO]- 306.894911 146.4
[M+Na-2H]- 268.855726 137.2
[M]+ 247.88051142 153.4
[M]- 247.88160858 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

No literature data available for this compound.

Patent stripe

patents stripe