CID 139026744

2209046-16-0

Structural Information

Molecular Formula

SMILES

C1C=CCC1(C(=O)O)F

InChI

InChI=1S/C6H7FO2/c7-6(5(8)9)3-1-2-4-6/h1-2H,3-4H2,(H,8,9)

InChIKey

RUKZLLCQARGMAO-UHFFFAOYSA-N

Compound name

1-fluorocyclopent-3-ene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.04301 Da
Monoisotopic Mass: 1.2
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]+	131.05029	122.8
[M+Na]+	153.03223	130.9
[M-H]-	129.03573	124.1
[M+NH4]+	148.07683	147.6
[M+K]+	169.00617	129.8
[M+H-H2O]+	113.04027	118.2
[M+HCOO]-	175.04121	144.7
[M+CH3COO]-	189.05686	166.3
[M+Na-2H]-	151.01768	128.2
[M]+	130.04246	119.6
[M]-	130.04356	119.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.