CID 84716335

1780810-66-3

Structural Information

Molecular Formula

C₇H₁₁FO₂

SMILES

C1C(CC1CF)CC(=O)O

InChI

InChI=1S/C7H11FO2/c8-4-6-1-5(2-6)3-7(9)10/h5-6H,1-4H2,(H,9,10)

InChIKey

OAZSKLZNRRNHQK-UHFFFAOYSA-N

Compound name

2-[3-(fluoromethyl)cyclobutyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 146.07431 Da
Monoisotopic Mass: 1.1
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	128.4
[M+Na]+	169.06353	133.9
[M-H]-	145.06703	129.3
[M+NH4]+	164.10813	142.6
[M+K]+	185.03747	135.9
[M+H-H2O]+	129.07157	117.9
[M+HCOO]-	191.07251	147.2
[M+CH3COO]-	205.08816	176.8
[M+Na-2H]-	167.04898	131.6
[M]+	146.07376	134.6
[M]-	146.07486	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe