CID 66026328

{1-[(4-fluorophenyl)methyl]cyclopropyl}methanol

Structural Information

Molecular Formula
C11H13FO
SMILES
C1CC1(CC2=CC=C(C=C2)F)CO
InChI
InChI=1S/C11H13FO/c12-10-3-1-9(2-4-10)7-11(8-13)5-6-11/h1-4,13H,5-8H2
InChIKey
ZMYSHCXWFHJOIL-UHFFFAOYSA-N
Compound name
[1-[(4-fluorophenyl)methyl]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.09505 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.102326 134.3
[M+Na]+ 203.084268 144.0
[M-H]- 179.087774 139.7
[M+NH4]+ 198.128873 150.9
[M+K]+ 219.058208 141.1
[M+H-H2O]+ 163.092310 128.1
[M+HCOO]- 225.093251 156.2
[M+CH3COO]- 239.108901 182.0
[M+Na-2H]- 201.069716 141.5
[M]+ 180.09450142 135.4
[M]- 180.09559858 135.4
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

No patent data available for this compound.