CID 119054924

Methyl 3-fluorocyclopentane-1-carboxylate

Structural Information

Molecular Formula

C₇H₁₁FO₂

SMILES

COC(=O)C1CCC(C1)F

InChI

InChI=1S/C7H11FO2/c1-10-7(9)5-2-3-6(8)4-5/h5-6H,2-4H2,1H3

InChIKey

ZYRURXXPYRQMTJ-UHFFFAOYSA-N

Compound name

methyl 3-fluorocyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 146.07431 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]+	147.08159	128.8
[M+Na]+	169.06353	135.9
[M-H]-	145.06703	130.9
[M+NH4]+	164.10813	151.9
[M+K]+	185.03747	135.6
[M+H-H2O]+	129.07157	123.2
[M+HCOO]-	191.07251	150.4
[M+CH3COO]-	205.08816	173.3
[M+Na-2H]-	167.04898	131.3
[M]+	146.07376	126.4
[M]-	146.07486	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe