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]+ 167.06783 130.8
[M+Na]+ 189.04977 137.9
[M-H]- 165.05327 129.0
[M+NH4]+ 184.09437 152.3
[M+K]+ 205.02371 136.1
[M+H-H2O]+ 149.05781 123.9
[M+HCOO]- 211.05875 148.2
[M+CH3COO]- 225.07440 173.9
[M+Na-2H]- 187.03522 134.0
[M]+ 166.06000 124.0
[M]- 166.06110 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.