CID 112756363

1919865-10-3

Structural Information

Molecular Formula

C₆H₈F₂O₃

SMILES

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

InChI

InChI=1S/C6H8F2O3/c7-6(8)11-4-1-3(2-4)5(9)10/h3-4,6H,1-2H2,(H,9,10)

InChIKey

VFSSYJZLKXRHEJ-UHFFFAOYSA-N

Compound name

3-(difluoromethoxy)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 166.04414 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]+	167.051416	130.6
[M+Na]+	189.033358	136.1
[M-H]-	165.036864	130.2
[M+NH4]+	184.077963	143.7
[M+K]+	205.007298	138.8
[M+H-H2O]+	149.041400	118.9
[M+HCOO]-	211.042341	147.9
[M+CH3COO]-	225.057991	179.4
[M+Na-2H]-	187.018806	132.3
[M]+	166.04359142	135.9
[M]-	166.04468858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe