CID 3011524

[(1s,2r)-2-fluoro-2-(methylsulfonyloxymethyl)cyclopropyl]methyl acetate

Structural Information

Molecular Formula
C8H13FO5S
SMILES
CC(=O)OC[C@@H]1C[C@@]1(COS(=O)(=O)C)F
InChI
InChI=1S/C8H13FO5S/c1-6(10)13-4-7-3-8(7,9)5-14-15(2,11)12/h7H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKey
FKJICUVYJXTCIS-YUMQZZPRSA-N
Compound name
[(1S,2R)-2-fluoro-2-(methylsulfonyloxymethyl)cyclopropyl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.04677 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05405 145.8
[M+Na]+ 263.03599 155.4
[M-H]- 239.03949 149.3
[M+NH4]+ 258.08059 160.9
[M+K]+ 279.00993 153.9
[M+H-H2O]+ 223.04403 140.6
[M+HCOO]- 285.04497 161.5
[M+CH3COO]- 299.06062 189.8
[M+Na-2H]- 261.02144 149.5
[M]+ 240.04622 154.6
[M]- 240.04732 154.6
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.