CID 155819629

2470438-25-4

Structural Information

Molecular Formula
C8H11FO4S
SMILES
C1CC2(C1)CS(=O)(=O)CC2(C(=O)O)F
InChI
InChI=1S/C8H11FO4S/c9-8(6(10)11)5-14(12,13)4-7(8)2-1-3-7/h1-5H2,(H,10,11)
InChIKey
RPVPDVDDAXTHTC-UHFFFAOYSA-N
Compound name
8-fluoro-6,6-dioxo-6lambda6-thiaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.03621 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.04349 140.2
[M+Na]+ 245.02543 146.9
[M-H]- 221.02893 143.4
[M+NH4]+ 240.07003 159.0
[M+K]+ 260.99937 147.5
[M+H-H2O]+ 205.03347 133.2
[M+HCOO]- 267.03441 153.3
[M+CH3COO]- 281.05006 182.0
[M+Na-2H]- 243.01088 143.6
[M]+ 222.03566 148.2
[M]- 222.03676 148.2
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.