CID 71757722

(1r)-1-(3-fluoro-4-methylphenyl)propan-1-ol

Structural Information

Molecular Formula
C10H13FO
SMILES
CC[C@H](C1=CC(=C(C=C1)C)F)O
InChI
InChI=1S/C10H13FO/c1-3-10(12)8-5-4-7(2)9(11)6-8/h4-6,10,12H,3H2,1-2H3/t10-/m1/s1
InChIKey
ZZCGKYXNTIQVJM-SNVBAGLBSA-N
Compound name
(1R)-1-(3-fluoro-4-methylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.09505 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.102326 134.0
[M+Na]+ 191.084268 142.2
[M-H]- 167.087774 135.4
[M+NH4]+ 186.128873 154.4
[M+K]+ 207.058208 139.8
[M+H-H2O]+ 151.092310 128.1
[M+HCOO]- 213.093251 154.9
[M+CH3COO]- 227.108901 179.6
[M+Na-2H]- 189.069716 138.0
[M]+ 168.09450142 132.8
[M]- 168.09559858 132.8
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.