CID 62070207

1-cyclopentyl-2,2,2-trifluoroethan-1-ol

Structural Information

Molecular Formula
C7H11F3O
SMILES
C1CCC(C1)C(C(F)(F)F)O
InChI
InChI=1S/C7H11F3O/c8-7(9,10)6(11)5-3-1-2-4-5/h5-6,11H,1-4H2
InChIKey
FVHGYKGHTHSHOX-UHFFFAOYSA-N
Compound name
1-cyclopentyl-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

168.0762 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08348 133.0
[M+Na]+ 191.06542 139.0
[M-H]- 167.06892 130.8
[M+NH4]+ 186.11002 154.3
[M+K]+ 207.03936 137.5
[M+H-H2O]+ 151.07346 126.1
[M+HCOO]- 213.07440 149.0
[M+CH3COO]- 227.09005 174.3
[M+Na-2H]- 189.05087 135.2
[M]+ 168.07565 124.7
[M]- 168.07675 124.7
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