CID 20104745

889939-46-2

Structural Information

Molecular Formula
C8H6Cl2O4S
SMILES
C1COC2=CC(=C(C=C2O1)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C8H6Cl2O4S/c9-5-3-6-7(14-2-1-13-6)4-8(5)15(10,11)12/h3-4H,1-2H2
InChIKey
JRUIKHSXGKKVTK-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.93637 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.943646 146.4
[M+Na]+ 290.925588 157.1
[M-H]- 266.929094 152.6
[M+NH4]+ 285.970193 163.5
[M+K]+ 306.899528 155.2
[M+H-H2O]+ 250.933630 143.5
[M+HCOO]- 312.934571 151.9
[M+CH3COO]- 326.950221 188.4
[M+Na-2H]- 288.911036 153.8
[M]+ 267.93582142 153.0
[M]- 267.93691858 153.0
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.