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

9
Patents

154.06055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06783 127.5
[M+Na]+ 177.04977 135.1
[M-H]- 153.05327 125.8
[M+NH4]+ 172.09437 149.7
[M+K]+ 193.02371 133.3
[M+H-H2O]+ 137.05781 121.0
[M+HCOO]- 199.05875 144.7
[M+CH3COO]- 213.07440 171.6
[M+Na-2H]- 175.03522 130.8
[M]+ 154.06000 119.8
[M]- 154.06110 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