CID 146147273

41102-03-8

Structural Information

Molecular Formula
C6H3ClN2O2S
SMILES
C1=C(SC2=C1NC(=O)NC2=O)Cl
InChI
InChI=1S/C6H3ClN2O2S/c7-3-1-2-4(12-3)5(10)9-6(11)8-2/h1H,(H2,8,9,10,11)
InChIKey
HPSUFUQFMZMIGE-UHFFFAOYSA-N
Compound name
6-chloro-1H-thieno[3,2-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.96037 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.96765 136.0
[M+Na]+ 224.94959 150.3
[M+NH4]+ 219.99419 144.2
[M+K]+ 240.92353 143.9
[M-H]- 200.95309 136.1
[M+Na-2H]- 222.93504 141.0
[M]+ 201.95982 138.7
[M]- 201.96092 138.7
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

No patent data available for this compound.