CID 11298822

3-methoxythiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C5H5ClO3S2
SMILES
COC1=C(SC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C5H5ClO3S2/c1-9-4-2-3-10-5(4)11(6,7)8/h2-3H,1H3
InChIKey
HLKHDXRCRNEXSF-UHFFFAOYSA-N
Compound name
3-methoxythiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

211.93686 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.94414 140.1
[M+Na]+ 234.92608 151.5
[M-H]- 210.92958 145.0
[M+NH4]+ 229.97068 162.4
[M+K]+ 250.90002 147.4
[M+H-H2O]+ 194.93412 136.8
[M+HCOO]- 256.93506 150.6
[M+CH3COO]- 270.95071 177.9
[M+Na-2H]- 232.91153 141.8
[M]+ 211.93631 146.7
[M]- 211.93741 146.7
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

patents stripe