CID 138039734

5-(1,3-dioxolan-2-yl)thiophene-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H7ClO4S2
SMILES
C1COC(O1)C2=CC(=CS2)S(=O)(=O)Cl
InChI
InChI=1S/C7H7ClO4S2/c8-14(9,10)5-3-6(13-4-5)7-11-1-2-12-7/h3-4,7H,1-2H2
InChIKey
MNNTXNSTMRXHOY-UHFFFAOYSA-N
Compound name
5-(1,3-dioxolan-2-yl)thiophene-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.94743 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.954706 152.7
[M+Na]+ 276.936648 163.4
[M-H]- 252.940154 161.9
[M+NH4]+ 271.981253 172.5
[M+K]+ 292.910588 162.1
[M+H-H2O]+ 236.944690 150.7
[M+HCOO]- 298.945631 161.6
[M+CH3COO]- 312.961281 182.8
[M+Na-2H]- 274.922096 153.9
[M]+ 253.94688142 158.5
[M]- 253.94797858 158.5
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.