CID 137964053

2225141-16-0

Structural Information

Molecular Formula
C6H7ClO5S2
SMILES
CC1=C(C=C(O1)S(=O)(=O)Cl)S(=O)(=O)C
InChI
InChI=1S/C6H7ClO5S2/c1-4-5(13(2,8)9)3-6(12-4)14(7,10)11/h3H,1-2H3
InChIKey
VOEBHFLRXJNMEH-UHFFFAOYSA-N
Compound name
5-methyl-4-methylsulfonylfuran-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.94235 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.94963 157.7
[M+Na]+ 280.93157 167.3
[M+NH4]+ 275.97617 163.9
[M+K]+ 296.90551 162.3
[M-H]- 256.93507 157.0
[M+Na-2H]- 278.91702 158.8
[M]+ 257.94180 159.9
[M]- 257.94290 159.9
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.