CID 137943501

2287313-60-2

Structural Information

Molecular Formula

C₈H₁₁FO₂

SMILES

C1CC2(C1)CC(C2)(C(=O)O)F

InChI

InChI=1S/C8H11FO2/c9-8(6(10)11)4-7(5-8)2-1-3-7/h1-5H2,(H,10,11)

InChIKey

POHVEPDMHAIVNK-UHFFFAOYSA-N

Compound name

2-fluorospiro[3.3]heptane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.07431 Da
Monoisotopic Mass: 2.0
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]+	159.08159	143.7
[M+Na]+	181.06353	143.8
[M+NH4]+	176.10813	145.9
[M+K]+	197.03747	139.8
[M-H]-	157.06703	138.4
[M+Na-2H]-	179.04898	144.5
[M]+	158.07376	140.1
[M]-	158.07486	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.