CID 139026696

2,4-dichlorothieno[3,2-d]pyrimidine-6-sulfonyl chloride

Structural Information

Molecular Formula
C6HCl3N2O2S2
SMILES
C1=C(SC2=C1N=C(N=C2Cl)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6HCl3N2O2S2/c7-5-4-2(10-6(8)11-5)1-3(14-4)15(9,12)13/h1H
InChIKey
OJBZMEOCWGCDSA-UHFFFAOYSA-N
Compound name
2,4-dichlorothieno[3,2-d]pyrimidine-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.8545 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.86178 155.2
[M+Na]+ 324.84372 169.8
[M-H]- 300.84722 157.9
[M+NH4]+ 319.88832 173.3
[M+K]+ 340.81766 163.8
[M+H-H2O]+ 284.85176 152.5
[M+HCOO]- 346.85270 153.9
[M+CH3COO]- 360.86835 167.5
[M+Na-2H]- 322.82917 157.2
[M]+ 301.85395 163.0
[M]- 301.85505 163.0
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.