CID 62079106

1-(cyclopent-1-en-1-yl)-2,2,2-trifluoroethan-1-ol

Structural Information

Molecular Formula
C7H9F3O
SMILES
C1CC=C(C1)C(C(F)(F)F)O
InChI
InChI=1S/C7H9F3O/c8-7(9,10)6(11)5-3-1-2-4-5/h3,6,11H,1-2,4H2
InChIKey
UWQPWKGYWCLOQO-UHFFFAOYSA-N
Compound name
1-(cyclopenten-1-yl)-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.06055 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.067826 130.8
[M+Na]+ 189.049768 137.9
[M-H]- 165.053274 129.0
[M+NH4]+ 184.094373 152.3
[M+K]+ 205.023708 136.1
[M+H-H2O]+ 149.057810 123.9
[M+HCOO]- 211.058751 148.2
[M+CH3COO]- 225.074401 173.9
[M+Na-2H]- 187.035216 134.0
[M]+ 166.06000142 124.0
[M]- 166.06109858 124.0
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.