CID 87429096

2219376-60-8

Structural Information

Molecular Formula

C₉H₁₁FO₂

SMILES

C1CCC#CC(CC1)(C(=O)O)F

InChI

InChI=1S/C9H11FO2/c10-9(8(11)12)6-4-2-1-3-5-7-9/h1-4,6H2,(H,11,12)

InChIKey

TYCOIOVUVGIUCR-UHFFFAOYSA-N

Compound name

1-fluorocyclooct-2-yne-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 170.07431 Da
Monoisotopic Mass: 2.3
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]+	171.08159	149.7
[M+Na]+	193.06353	152.5
[M+NH4]+	188.10813	152.5
[M+K]+	209.03747	151.3
[M-H]-	169.06703	149.6
[M+Na-2H]-	191.04898	152.2
[M]+	170.07376	150.0
[M]-	170.07486	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe