CID 118061739

2247106-27-8

Structural Information

Molecular Formula

C₆H₇F₃O₃

SMILES

C1C(CC1OC(F)(F)F)C(=O)O

InChI

InChI=1S/C6H7F3O3/c7-6(8,9)12-4-1-3(2-4)5(10)11/h3-4H,1-2H2,(H,10,11)

InChIKey

MBYACEIXYASETJ-UHFFFAOYSA-N

Compound name

3-(trifluoromethoxy)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 184.03473 Da
Monoisotopic Mass: 1.4
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]+	185.04201	132.7
[M+Na]+	207.02395	139.0
[M-H]-	183.02745	131.2
[M+NH4]+	202.06855	145.3
[M+K]+	222.99789	141.2
[M+H-H2O]+	167.03199	120.8
[M+HCOO]-	229.03293	148.4
[M+CH3COO]-	243.04858	181.0
[M+Na-2H]-	205.00940	135.9
[M]+	184.03418	136.9
[M]-	184.03528	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe