CID 84020902

3-(trifluoromethyl)cyclopentan-1-ol

Structural Information

Molecular Formula
C6H9F3O
SMILES
C1CC(CC1C(F)(F)F)O
InChI
InChI=1S/C6H9F3O/c7-6(8,9)4-1-2-5(10)3-4/h4-5,10H,1-3H2
InChIKey
NPJSYKSJLNJJRM-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

154.06055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.067826 127.5
[M+Na]+ 177.049768 135.1
[M-H]- 153.053274 125.8
[M+NH4]+ 172.094373 149.7
[M+K]+ 193.023708 133.3
[M+H-H2O]+ 137.057810 121.0
[M+HCOO]- 199.058751 144.7
[M+CH3COO]- 213.074401 171.6
[M+Na-2H]- 175.035216 130.8
[M]+ 154.06000142 119.8
[M]- 154.06109858 119.8
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

patents stripe