CID 95004057

Rac-[(1r,2r)-2-(4-fluorophenyl)cyclopropyl]methanol

Structural Information

Molecular Formula
C10H11FO
SMILES
C1[C@H]([C@@H]1C2=CC=C(C=C2)F)CO
InChI
InChI=1S/C10H11FO/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10,12H,5-6H2/t8-,10-/m0/s1
InChIKey
ODPZTCKFPWLUEV-WPRPVWTQSA-N
Compound name
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

166.07939 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08667 128.4
[M+Na]+ 189.06861 138.7
[M-H]- 165.07211 134.0
[M+NH4]+ 184.11321 144.0
[M+K]+ 205.04255 135.0
[M+H-H2O]+ 149.07665 121.6
[M+HCOO]- 211.07759 151.0
[M+CH3COO]- 225.09324 180.7
[M+Na-2H]- 187.05406 134.6
[M]+ 166.07884 129.2
[M]- 166.07994 129.2
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