CID 84649352

1447944-38-8

Structural Information

Molecular Formula

C₆H₈F₂O₂

SMILES

CC(C1(CC1)C(=O)O)(F)F

InChI

InChI=1S/C6H8F2O2/c1-5(7,8)6(2-3-6)4(9)10/h2-3H2,1H3,(H,9,10)

InChIKey

AXZPPINNVGZENV-UHFFFAOYSA-N

Compound name

1-(1,1-difluoroethyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 150.04924 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]+	151.05652	124.4
[M+Na]+	173.03846	134.1
[M-H]-	149.04196	125.7
[M+NH4]+	168.08306	141.9
[M+K]+	189.01240	132.8
[M+H-H2O]+	133.04650	119.2
[M+HCOO]-	195.04744	142.8
[M+CH3COO]-	209.06309	175.8
[M+Na-2H]-	171.02391	131.3
[M]+	150.04869	124.2
[M]-	150.04979	124.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe