CID 2777617

2-(4-(trifluoromethyl)phenyl)-2-propanol

Structural Information

Molecular Formula

C₁₀H₁₁F₃O

SMILES

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

InChI

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

InChIKey

MKBAAKBUZIREBE-UHFFFAOYSA-N

Compound name

2-[4-(trifluoromethyl)phenyl]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
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	139.9
[M+Na]+	227.06542	148.5
[M-H]-	203.06892	138.7
[M+NH4]+	222.11002	158.6
[M+K]+	243.03936	145.6
[M+H-H2O]+	187.07346	132.9
[M+HCOO]-	249.07440	156.5
[M+CH3COO]-	263.09005	183.3
[M+Na-2H]-	225.05087	146.1
[M]+	204.07565	135.4
[M]-	204.07675	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe