CID 20785608

Cyclopropyl(4-fluoro-3-methylphenyl)methanol

Structural Information

Molecular Formula
C11H13FO
SMILES
CC1=C(C=CC(=C1)C(C2CC2)O)F
InChI
InChI=1S/C11H13FO/c1-7-6-9(4-5-10(7)12)11(13)8-2-3-8/h4-6,8,11,13H,2-3H2,1H3
InChIKey
YBUARYQDBOZGOK-UHFFFAOYSA-N
Compound name
cyclopropyl-(4-fluoro-3-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

180.09505 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.102326 132.2
[M+Na]+ 203.084268 141.8
[M-H]- 179.087774 137.6
[M+NH4]+ 198.128873 147.1
[M+K]+ 219.058208 138.2
[M+H-H2O]+ 163.092310 125.3
[M+HCOO]- 225.093251 153.5
[M+CH3COO]- 239.108901 184.4
[M+Na-2H]- 201.069716 136.7
[M]+ 180.09450142 132.7
[M]- 180.09559858 132.7
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