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]+ 250.977556 145.9
[M+Na]+ 272.959498 157.5
[M-H]- 248.963004 153.1
[M+NH4]+ 268.004103 165.3
[M+K]+ 288.933438 156.9
[M+H-H2O]+ 232.967540 143.2
[M+HCOO]- 294.968481 158.7
[M+CH3COO]- 308.984131 185.4
[M+Na-2H]- 270.944946 152.7
[M]+ 249.96973142 155.2
[M]- 249.97082858 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.