CID 5314415

67081-98-5

Structural Information

Molecular Formula

C₁₀H₁₁F₃O

SMILES

CCC(C1=CC=C(C=C1)C(F)(F)F)O

InChI

InChI=1S/C10H11F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6,9,14H,2H2,1H3

InChIKey

DSPWVWRWAPFFNC-UHFFFAOYSA-N

Compound name

1-[4-(trifluoromethyl)phenyl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 204.0762 Da
Monoisotopic Mass: 2.8
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]+	205.08348	147.8
[M+Na]+	227.06542	156.6
[M+NH4]+	222.11002	153.5
[M+K]+	243.03936	151.5
[M-H]-	203.06892	144.5
[M+Na-2H]-	225.05087	151.5
[M]+	204.07565	147.9
[M]-	204.07675	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe