CID 67282266

((1s,2r)-1-(3-fluorophenyl)cyclopropane-1,2-diyl)dimethanol

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

47
Patents

196.08995 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09723 145.3
[M+Na]+ 219.07917 158.0
[M+NH4]+ 214.12377 154.8
[M+K]+ 235.05311 151.7
[M-H]- 195.08267 153.4
[M+Na-2H]- 217.06462 155.0
[M]+ 196.08940 150.5
[M]- 196.09050 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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