CID 3011500

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

Structural Information

Molecular Formula
C12H13FO2
SMILES
CC(=O)OC[C@@H]1C[C@@]1(C2=CC=CC=C2)F
InChI
InChI=1S/C12H13FO2/c1-9(14)15-8-11-7-12(11,13)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-,12-/m0/s1
InChIKey
VUAFPXHOMLIGFL-RYUDHWBXSA-N
Compound name
[(1S,2R)-2-fluoro-2-phenylcyclopropyl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.08995 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09723 142.4
[M+Na]+ 231.07917 152.1
[M-H]- 207.08267 149.0
[M+NH4]+ 226.12377 158.5
[M+K]+ 247.05311 150.0
[M+H-H2O]+ 191.08721 135.7
[M+HCOO]- 253.08815 164.8
[M+CH3COO]- 267.10380 188.7
[M+Na-2H]- 229.06462 148.2
[M]+ 208.08940 145.6
[M]- 208.09050 145.6
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.