CID 71309292

Dtxsid20745820

Structural Information

Molecular Formula
C7H7ClO4S2
SMILES
CCO[13C](=O)[13C]1=C(C=CS1)S(=O)(=O)Cl
InChI
InChI=1S/C7H7ClO4S2/c1-2-12-7(9)6-5(3-4-13-6)14(8,10)11/h3-4H,2H2,1H3/i6+1,7+1
InChIKey
SHWWGFVYWZNBHA-AKZCFXPHSA-N
Compound name
ethyl 3-chlorosulfonyl(213C)thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.95413 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.96141 155.2
[M+Na]+ 278.94335 164.5
[M+NH4]+ 273.98795 162.4
[M+K]+ 294.91729 158.1
[M-H]- 254.94685 154.4
[M+Na-2H]- 276.92880 157.3
[M]+ 255.95358 157.2
[M]- 255.95468 157.2
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.