CID 146048587

2-(3,3-difluorocyclobutoxy)acetic acid

Structural Information

Molecular Formula

C₆H₈F₂O₃

SMILES

C1C(CC1(F)F)OCC(=O)O

InChI

InChI=1S/C6H8F2O3/c7-6(8)1-4(2-6)11-3-5(9)10/h4H,1-3H2,(H,9,10)

InChIKey

ZOFHKCFTVHWVNM-UHFFFAOYSA-N

Compound name

2-(3,3-difluorocyclobutyl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 166.04414 Da
Monoisotopic Mass: 0.9
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	130.2
[M+Na]+	189.033358	136.9
[M-H]-	165.036864	130.3
[M+NH4]+	184.077963	145.5
[M+K]+	205.007298	139.2
[M+H-H2O]+	149.041400	120.2
[M+HCOO]-	211.042341	148.6
[M+CH3COO]-	225.057991	178.1
[M+Na-2H]-	187.018806	134.5
[M]+	166.04359142	136.6
[M]-	166.04468858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe