CID 84712320

6-chloro-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride

Structural Information

Molecular Formula
C8H6Cl2O4S
SMILES
C1COC2=C(O1)C=CC(=C2S(=O)(=O)Cl)Cl
InChI
InChI=1S/C8H6Cl2O4S/c9-5-1-2-6-7(14-4-3-13-6)8(5)15(10,11)12/h1-2H,3-4H2
InChIKey
BGEXXCZEPWWYSS-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dihydro-1,4-benzodioxine-5-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]+ 268.94365 151.0
[M+Na]+ 290.92559 165.1
[M+NH4]+ 285.97019 159.8
[M+K]+ 306.89953 157.5
[M-H]- 266.92909 154.7
[M+Na-2H]- 288.91104 155.4
[M]+ 267.93582 155.2
[M]- 267.93692 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.