CID 165953841

En300-728874

Structural Information

Molecular Formula
C6H2ClFN2O2S2
SMILES
C1=C(SC2=C1N=CN=C2Cl)S(=O)(=O)F
InChI
InChI=1S/C6H2ClFN2O2S2/c7-6-5-3(9-2-10-6)1-4(13-5)14(8,11)12/h1-2H
InChIKey
VGEZGGOLUQFYHL-UHFFFAOYSA-N
Compound name
4-chlorothieno[3,2-d]pyrimidine-6-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.92302 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.93030 144.0
[M+Na]+ 274.91224 158.8
[M-H]- 250.91574 146.5
[M+NH4]+ 269.95684 163.7
[M+K]+ 290.88618 153.2
[M+H-H2O]+ 234.92028 139.1
[M+HCOO]- 296.92122 152.2
[M+CH3COO]- 310.93687 157.8
[M+Na-2H]- 272.89769 148.1
[M]+ 251.92247 150.6
[M]- 251.92357 150.6
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.