CID 67282266

1369767-20-3

Structural Information

Molecular Formula
C11H13FO2
SMILES
C1[C@H]([C@]1(CO)C2=CC(=CC=C2)F)CO
InChI
InChI=1S/C11H13FO2/c12-10-3-1-2-8(4-10)11(7-14)5-9(11)6-13/h1-4,9,13-14H,5-7H2/t9-,11+/m0/s1
InChIKey
LYRQPKNAZSUDKZ-GXSJLCMTSA-N
Compound name
[(1R,2S)-2-(3-fluorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

196.08995 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.097226 136.7
[M+Na]+ 219.079168 146.8
[M-H]- 195.082674 141.0
[M+NH4]+ 214.123773 152.2
[M+K]+ 235.053108 143.2
[M+H-H2O]+ 179.087210 130.9
[M+HCOO]- 241.088151 157.3
[M+CH3COO]- 255.103801 182.6
[M+Na-2H]- 217.064616 142.9
[M]+ 196.08940142 137.9
[M]- 196.09049858 137.9
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

patents stripe