CID 118061823

2384666-57-1

Structural Information

Molecular Formula

C₈H₁₀F₂O₂

SMILES

CC1(CC2(C1)CC2(F)F)C(=O)O

InChI

InChI=1S/C8H10F2O2/c1-6(5(11)12)2-7(3-6)4-8(7,9)10/h2-4H2,1H3,(H,11,12)

InChIKey

ZLALTRNMQHAPGB-UHFFFAOYSA-N

Compound name

2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 176.06488 Da
Monoisotopic Mass: 1.5
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]+	177.07216	146.7
[M+Na]+	199.05410	152.1
[M+NH4]+	194.09870	153.8
[M+K]+	215.02804	146.2
[M-H]-	175.05760	149.0
[M+Na-2H]-	197.03955	152.9
[M]+	176.06433	148.3
[M]-	176.06543	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe