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]+ 254.95471 152.3
[M+Na]+ 276.93665 162.0
[M+NH4]+ 271.98125 160.6
[M+K]+ 292.91059 157.7
[M-H]- 252.94015 156.1
[M+Na-2H]- 274.92210 154.7
[M]+ 253.94688 155.8
[M]- 253.94798 155.8
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.