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

4
Patents

166.07939 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.086666 128.4
[M+Na]+ 189.068608 138.7
[M-H]- 165.072114 134.0
[M+NH4]+ 184.113213 144.0
[M+K]+ 205.042548 135.0
[M+H-H2O]+ 149.076650 121.6
[M+HCOO]- 211.077591 151.0
[M+CH3COO]- 225.093241 180.7
[M+Na-2H]- 187.054056 134.6
[M]+ 166.07884142 129.2
[M]- 166.07993858 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