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]+ 236.96190 141.4
[M+Na]+ 258.94384 152.9
[M-H]- 234.94734 147.3
[M+NH4]+ 253.98844 160.6
[M+K]+ 274.91778 151.7
[M+H-H2O]+ 218.95188 139.1
[M+HCOO]- 280.95282 153.0
[M+CH3COO]- 294.96847 180.0
[M+Na-2H]- 256.92929 148.3
[M]+ 235.95407 148.5
[M]- 235.95517 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.