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 149.6
[M+Na]+ 280.93157 161.4
[M-H]- 256.93507 155.5
[M+NH4]+ 275.97617 168.8
[M+K]+ 296.90551 158.4
[M+H-H2O]+ 240.93961 146.9
[M+HCOO]- 302.94055 158.5
[M+CH3COO]- 316.95620 185.0
[M+Na-2H]- 278.91702 153.0
[M]+ 257.94180 158.1
[M]- 257.94290 158.1
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.