CID 19695575

100633-61-2

Structural Information

Molecular Formula

C₁₅H₁₉FO₂

SMILES

CCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)F

InChI

InChI=1S/C15H19FO2/c1-2-11-3-5-12(6-4-11)15(17)18-14-9-7-13(16)8-10-14/h7-12H,2-6H2,1H3

InChIKey

YCODTMZSONXRIF-UHFFFAOYSA-N

Compound name

(4-fluorophenyl) 4-ethylcyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 250.1369 Da
Monoisotopic Mass: 4.6
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]+	251.14418	157.2
[M+Na]+	273.12612	162.2
[M-H]-	249.12962	161.7
[M+NH4]+	268.17072	174.2
[M+K]+	289.10006	159.3
[M+H-H2O]+	233.13416	149.1
[M+HCOO]-	295.13510	175.5
[M+CH3COO]-	309.15075	194.4
[M+Na-2H]-	271.11157	158.5
[M]+	250.13635	153.5
[M]-	250.13745	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe