CID 137838233

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

Structural Information

Molecular Formula

C₈H₁₁FO₂

SMILES

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

InChI

InChI=1S/C8H11FO2/c9-6-3-8(4-6)1-5(2-8)7(10)11/h5-6H,1-4H2,(H,10,11)

InChIKey

OUBOCMOMOWCRPG-UHFFFAOYSA-N

Compound name

2-fluorospiro[3.3]heptane-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 158.07431 Da
Monoisotopic Mass: 1.3
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	143.4
[M+Na]+	181.06353	143.6
[M+NH4]+	176.10813	144.3
[M+K]+	197.03747	141.2
[M-H]-	157.06703	138.1
[M+Na-2H]-	179.04898	142.6
[M]+	158.07376	139.6
[M]-	158.07486	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe