CID 19961266

1227187-82-7

Structural Information

Molecular Formula

C₈H₁₁F₃O₃

SMILES

C1CC(CCC1C(=O)O)OC(F)(F)F

InChI

InChI=1S/C8H11F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h5-6H,1-4H2,(H,12,13)

InChIKey

QGMWMYHMLLIPMI-UHFFFAOYSA-N

Compound name

4-(trifluoromethoxy)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 212.06602 Da
Monoisotopic Mass: 2.1
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]+	213.07330	141.2
[M+Na]+	235.05524	147.0
[M-H]-	211.05874	138.9
[M+NH4]+	230.09984	158.9
[M+K]+	251.02918	145.6
[M+H-H2O]+	195.06328	133.7
[M+HCOO]-	257.06422	155.3
[M+CH3COO]-	271.07987	181.9
[M+Na-2H]-	233.04069	143.5
[M]+	212.06547	133.7
[M]-	212.06657	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe