CID 4962478

854357-34-9

Structural Information

Molecular Formula
C11H7ClO4S
SMILES
C1COC2=C(O1)C=C3C(=C2)SC(=C3Cl)C(=O)O
InChI
InChI=1S/C11H7ClO4S/c12-9-5-3-6-7(16-2-1-15-6)4-8(5)17-10(9)11(13)14/h3-4H,1-2H2,(H,13,14)
InChIKey
YANVGPUCJYUCGY-UHFFFAOYSA-N
Compound name
8-chloro-2,3-dihydrothieno[2,3-g][1,4]benzodioxine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.97537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.98265 151.5
[M+Na]+ 292.96459 165.5
[M+NH4]+ 288.00919 161.0
[M+K]+ 308.93853 159.7
[M-H]- 268.96809 156.1
[M+Na-2H]- 290.95004 154.9
[M]+ 269.97482 155.7
[M]- 269.97592 155.7
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.