CID 84762934

Mfcd28550492

Structural Information

Molecular Formula

C₇H₁₁FO₂

SMILES

CC1(CCC(C1)F)C(=O)O

InChI

InChI=1S/C7H11FO2/c1-7(6(9)10)3-2-5(8)4-7/h5H,2-4H2,1H3,(H,9,10)

InChIKey

JBSLKTADVWTUDB-UHFFFAOYSA-N

Compound name

3-fluoro-1-methylcyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 146.07431 Da
Monoisotopic Mass: 1.4
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]+	147.08159	128.3
[M+Na]+	169.06353	135.9
[M-H]-	145.06703	129.4
[M+NH4]+	164.10813	152.7
[M+K]+	185.03747	134.7
[M+H-H2O]+	129.07157	123.9
[M+HCOO]-	191.07251	148.4
[M+CH3COO]-	205.08816	170.8
[M+Na-2H]-	167.04898	131.6
[M]+	146.07376	124.4
[M]-	146.07486	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.