CID 71743974

6,6-difluorospiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula

C₈H₁₀F₂O₂

SMILES

C1C(CC12CC(C2)(F)F)C(=O)O

InChI

InChI=1S/C8H10F2O2/c9-8(10)3-7(4-8)1-5(2-7)6(11)12/h5H,1-4H2,(H,11,12)

InChIKey

XRVCRDQMFKNZJR-UHFFFAOYSA-N

Compound name

2,2-difluorospiro[3.3]heptane-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
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]+	177.072156	133.3
[M+Na]+	199.054098	139.0
[M-H]-	175.057604	135.9
[M+NH4]+	194.098703	143.4
[M+K]+	215.028038	142.4
[M+H-H2O]+	159.062140	121.1
[M+HCOO]-	221.063081	148.2
[M+CH3COO]-	235.078731	189.8
[M+Na-2H]-	197.039546	137.5
[M]+	176.06433142	145.4
[M]-	176.06542858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe