CID 145912938

2378501-18-7

Structural Information

Molecular Formula

C₇H₉F₃O₃

SMILES

COC1(CC(C1)C(=O)O)C(F)(F)F

InChI

InChI=1S/C7H9F3O3/c1-13-6(7(8,9)10)2-4(3-6)5(11)12/h4H,2-3H2,1H3,(H,11,12)

InChIKey

PYJRZXZEBIPORU-UHFFFAOYSA-N

Compound name

3-methoxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 198.05038 Da
Monoisotopic Mass: 1.1
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]+	199.05766	138.7
[M+Na]+	221.03960	145.5
[M-H]-	197.04310	137.6
[M+NH4]+	216.08420	152.8
[M+K]+	237.01354	147.6
[M+H-H2O]+	181.04764	128.3
[M+HCOO]-	243.04858	154.1
[M+CH3COO]-	257.06423	183.5
[M+Na-2H]-	219.02505	142.6
[M]+	198.04983	143.6
[M]-	198.05093	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe