CID 2776169

63758-12-3

Structural Information

Molecular Formula
C8H7ClO4S
SMILES
C1COC2=C(O1)C=CC(=C2)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2
InChIKey
JWHSRWUHRLYAPM-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

648
Patents

233.97536 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.982636 140.5
[M+Na]+ 256.964578 150.4
[M-H]- 232.968084 147.0
[M+NH4]+ 252.009183 158.4
[M+K]+ 272.938518 149.4
[M+H-H2O]+ 216.972620 136.6
[M+HCOO]- 278.973561 151.1
[M+CH3COO]- 292.989211 182.5
[M+Na-2H]- 254.950026 149.4
[M]+ 233.97481142 145.8
[M]- 233.97590858 145.8
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

patents stripe