CID 3011504

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

Structural Information

Molecular Formula
C7H11FO3
SMILES
CC(=O)OC[C@@H]1C[C@@]1(CO)F
InChI
InChI=1S/C7H11FO3/c1-5(10)11-3-6-2-7(6,8)4-9/h6,9H,2-4H2,1H3/t6-,7-/m0/s1
InChIKey
OEAAFMVJIQDMPY-BQBZGAKWSA-N
Compound name
[(1S,2R)-2-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

162.06923 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07651 130.9
[M+Na]+ 185.05845 140.8
[M-H]- 161.06195 133.5
[M+NH4]+ 180.10305 148.3
[M+K]+ 201.03239 139.5
[M+H-H2O]+ 145.06649 126.0
[M+HCOO]- 207.06743 151.7
[M+CH3COO]- 221.08308 178.1
[M+Na-2H]- 183.04390 136.4
[M]+ 162.06868 134.5
[M]- 162.06978 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.