CID 67282975

1369768-29-5

Structural Information

Molecular Formula
C13H15FO3
SMILES
CC(=O)OC[C@@H]1C[C@@]1(CO)C2=CC(=CC=C2)F
InChI
InChI=1S/C13H15FO3/c1-9(16)17-7-11-6-13(11,8-15)10-3-2-4-12(14)5-10/h2-5,11,15H,6-8H2,1H3/t11-,13+/m0/s1
InChIKey
VXNBTSLXRMFPQE-WCQYABFASA-N
Compound name
[(1R,2S)-2-(3-fluorophenyl)-2-(hydroxymethyl)cyclopropyl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

238.10052 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10780 148.6
[M+Na]+ 261.08974 158.3
[M-H]- 237.09324 154.1
[M+NH4]+ 256.13434 163.1
[M+K]+ 277.06368 155.4
[M+H-H2O]+ 221.09778 142.3
[M+HCOO]- 283.09872 169.4
[M+CH3COO]- 297.11437 192.1
[M+Na-2H]- 259.07519 153.0
[M]+ 238.09997 152.4
[M]- 238.10107 152.4
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

patents stripe