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

31
Patents

238.10052 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.107796 148.6
[M+Na]+ 261.089738 158.3
[M-H]- 237.093244 154.1
[M+NH4]+ 256.134343 163.1
[M+K]+ 277.063678 155.4
[M+H-H2O]+ 221.097780 142.3
[M+HCOO]- 283.098721 169.4
[M+CH3COO]- 297.114371 192.1
[M+Na-2H]- 259.075186 153.0
[M]+ 238.09997142 152.4
[M]- 238.10106858 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