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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.08348	141.4
[M+Na]+	191.06542	147.1
[M+NH4]+	186.11002	147.2
[M+K]+	207.03936	144.7
[M-H]-	167.06892	137.0
[M+Na-2H]-	189.05087	142.6
[M]+	168.07565	140.5
[M]-	168.07675	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe