CID 155821953

2490374-79-1

Structural Information

Molecular Formula
C7H9FO3S
SMILES
C1C2(CO1)CSCC2(C(=O)O)F
InChI
InChI=1S/C7H9FO3S/c8-7(5(9)10)4-12-3-6(7)1-11-2-6/h1-4H2,(H,9,10)
InChIKey
URMHBZJZWJQGEY-UHFFFAOYSA-N
Compound name
8-fluoro-2-oxa-6-thiaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.02565 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.03293 130.9
[M+Na]+ 215.01487 136.3
[M-H]- 191.01837 134.5
[M+NH4]+ 210.05947 147.8
[M+K]+ 230.98881 138.9
[M+H-H2O]+ 175.02291 122.6
[M+HCOO]- 237.02385 143.4
[M+CH3COO]- 251.03950 177.5
[M+Na-2H]- 213.00032 134.8
[M]+ 192.02510 138.1
[M]- 192.02620 138.1
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.