CID 65811454

29765-49-9

Structural Information

Molecular Formula

C₁₂H₁₁F₃O₃

SMILES

C1CC1(CC2=CC=C(C=C2)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C12H11F3O3/c13-12(14,15)18-9-3-1-8(2-4-9)7-11(5-6-11)10(16)17/h1-4H,5-7H2,(H,16,17)

InChIKey

FTWOJOXFIDZHRY-UHFFFAOYSA-N

Compound name

1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.06604 Da
Monoisotopic Mass: 3.2
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]+	261.073316	147.6
[M+Na]+	283.055258	157.1
[M-H]-	259.058764	150.3
[M+NH4]+	278.099863	160.8
[M+K]+	299.029198	154.1
[M+H-H2O]+	243.063300	139.9
[M+HCOO]-	305.064241	165.1
[M+CH3COO]-	319.079891	193.7
[M+Na-2H]-	281.040706	152.9
[M]+	260.06549142	147.9
[M]-	260.06658858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.