CID 22387690

191155-81-4

Structural Information

Molecular Formula

C₁₀H₁₁F₃O

SMILES

C1=CC=C(C(=C1)CCCO)C(F)(F)F

InChI

InChI=1S/C10H11F3O/c11-10(12,13)9-6-2-1-4-8(9)5-3-7-14/h1-2,4,6,14H,3,5,7H2

InChIKey

MNJCAHDWFQQMFI-UHFFFAOYSA-N

Compound name

3-[2-(trifluoromethyl)phenyl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 204.0762 Da
Monoisotopic Mass: 2.7
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	140.4
[M+Na]+	227.06542	148.5
[M-H]-	203.06892	138.8
[M+NH4]+	222.11002	159.0
[M+K]+	243.03936	145.1
[M+H-H2O]+	187.07346	132.7
[M+HCOO]-	249.07440	158.6
[M+CH3COO]-	263.09005	182.8
[M+Na-2H]-	225.05087	145.7
[M]+	204.07565	136.4
[M]-	204.07675	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe