CID 155822438

2503208-56-6

Structural Information

Molecular Formula
C7H9FO5S
SMILES
C1C2(CO1)CS(=O)(=O)CC2(C(=O)O)F
InChI
InChI=1S/C7H9FO5S/c8-7(5(9)10)4-14(11,12)3-6(7)1-13-2-6/h1-4H2,(H,9,10)
InChIKey
UBJNNHUOIDTLDN-UHFFFAOYSA-N
Compound name
8-fluoro-6,6-dioxo-2-oxa-6lambda6-thiaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.01547 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02275 134.7
[M+Na]+ 247.00469 141.6
[M-H]- 223.00819 138.7
[M+NH4]+ 242.04929 152.2
[M+K]+ 262.97863 144.1
[M+H-H2O]+ 207.01273 128.1
[M+HCOO]- 269.01367 147.6
[M+CH3COO]- 283.02932 181.3
[M+Na-2H]- 244.99014 140.1
[M]+ 224.01492 144.4
[M]- 224.01602 144.4
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.