CID 84707281

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

Structural Information

Molecular Formula
C8H7ClO5S
SMILES
COC1=C(C=C2C(=C1)OCO2)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClO5S/c1-12-7-2-5-6(14-4-13-5)3-8(7)15(9,10)11/h2-3H,4H2,1H3
InChIKey
OMZVGLTVPSCUJB-UHFFFAOYSA-N
Compound name
6-methoxy-1,3-benzodioxole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.97028 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.97756 145.9
[M+Na]+ 272.95950 157.5
[M-H]- 248.96300 153.1
[M+NH4]+ 268.00410 165.3
[M+K]+ 288.93344 156.9
[M+H-H2O]+ 232.96754 143.2
[M+HCOO]- 294.96848 158.7
[M+CH3COO]- 308.98413 185.4
[M+Na-2H]- 270.94495 152.7
[M]+ 249.96973 155.2
[M]- 249.97083 155.2
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.