CID 6455316

66410-36-4

Structural Information

Molecular Formula
C9H7ClO6S
SMILES
C1COC2=C(C=C(C=C2O1)S(=O)(=O)Cl)C(=O)O
InChI
InChI=1S/C9H7ClO6S/c10-17(13,14)5-3-6(9(11)12)8-7(4-5)15-1-2-16-8/h3-4H,1-2H2,(H,11,12)
InChIKey
NCSFGFOXYGSSSH-UHFFFAOYSA-N
Compound name
7-chlorosulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

277.96518 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.97246 152.7
[M+Na]+ 300.95440 164.3
[M+NH4]+ 295.99900 159.4
[M+K]+ 316.92834 159.5
[M-H]- 276.95790 154.6
[M+Na-2H]- 298.93985 155.2
[M]+ 277.96463 155.5
[M]- 277.96573 155.5
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.