CID 137951534

5-fluoro-2,2-dimethylcyclopentan-1-ol

Structural Information

Molecular Formula
C7H13FO
SMILES
CC1(CCC(C1O)F)C
InChI
InChI=1S/C7H13FO/c1-7(2)4-3-5(8)6(7)9/h5-6,9H,3-4H2,1-2H3
InChIKey
QRGNCPPWBPTECX-UHFFFAOYSA-N
Compound name
5-fluoro-2,2-dimethylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.09505 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.102326 124.9
[M+Na]+ 155.084268 133.4
[M-H]- 131.087774 126.3
[M+NH4]+ 150.128873 150.4
[M+K]+ 171.058208 132.0
[M+H-H2O]+ 115.092310 120.9
[M+HCOO]- 177.093251 145.6
[M+CH3COO]- 191.108901 170.0
[M+Na-2H]- 153.069716 128.9
[M]+ 132.09450142 121.3
[M]- 132.09559858 121.3
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.