CID 165868761

6-hydroxy-1,3-dioxaindane-5-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClO5S
SMILES
C1OC2=C(O1)C=C(C(=C2)O)S(=O)(=O)Cl
InChI
InChI=1S/C7H5ClO5S/c8-14(10,11)7-2-6-5(1-4(7)9)12-3-13-6/h1-2,9H,3H2
InChIKey
PMAMULNJGXWVGG-UHFFFAOYSA-N
Compound name
6-hydroxy-1,3-benzodioxole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.95462 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.961896 141.4
[M+Na]+ 258.943838 152.9
[M-H]- 234.947344 147.3
[M+NH4]+ 253.988443 160.6
[M+K]+ 274.917778 151.7
[M+H-H2O]+ 218.951880 139.1
[M+HCOO]- 280.952821 153.0
[M+CH3COO]- 294.968471 180.0
[M+Na-2H]- 256.929286 148.3
[M]+ 235.95407142 148.5
[M]- 235.95516858 148.5
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.