CID 165452561

7-(fluorosulfonyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

Structural Information

Molecular Formula
C9H7FO6S
SMILES
C1COC2=C(C=C(C=C2O1)S(=O)(=O)F)C(=O)O
InChI
InChI=1S/C9H7FO6S/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
DQEXBXZVAIYTDM-UHFFFAOYSA-N
Compound name
7-fluorosulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.99475 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.00203 146.6
[M+Na]+ 284.98397 155.2
[M-H]- 260.98747 150.2
[M+NH4]+ 280.02857 161.3
[M+K]+ 300.95791 155.3
[M+H-H2O]+ 244.99201 140.7
[M+HCOO]- 306.99295 158.3
[M+CH3COO]- 321.00860 187.9
[M+Na-2H]- 282.96942 153.3
[M]+ 261.99420 149.3
[M]- 261.99530 149.3
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.