CID 155978129

4-hydroxythieno[3,2-d]pyrimidine-7-sulfonyl chloride

Structural Information

Molecular Formula
C6H3ClN2O3S2
SMILES
C1=C(C2=C(S1)C(=O)NC=N2)S(=O)(=O)Cl
InChI
InChI=1S/C6H3ClN2O3S2/c7-14(11,12)3-1-13-5-4(3)8-2-9-6(5)10/h1-2H,(H,8,9,10)
InChIKey
YGKICWUUMVHAKT-UHFFFAOYSA-N
Compound name
4-oxo-3H-thieno[3,2-d]pyrimidine-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.92737 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.93465 146.3
[M+Na]+ 272.91659 160.6
[M-H]- 248.92009 148.8
[M+NH4]+ 267.96119 165.3
[M+K]+ 288.89053 154.4
[M+H-H2O]+ 232.92463 142.7
[M+HCOO]- 294.92557 154.4
[M+CH3COO]- 308.94122 181.3
[M+Na-2H]- 270.90204 150.8
[M]+ 249.92682 152.7
[M]- 249.92792 152.7
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.