CID 21351042

2chcaafch

Structural Information

Molecular Formula

C₁₅H₂₅FO₂

SMILES

CCC1CCC(CC1)C(=O)OC2CCC(CC2)F

InChI

InChI=1S/C15H25FO2/c1-2-11-3-5-12(6-4-11)15(17)18-14-9-7-13(16)8-10-14/h11-14H,2-10H2,1H3

InChIKey

MTXBNWGJVXYNBS-UHFFFAOYSA-N

Compound name

(4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 256.18387 Da
Monoisotopic Mass: 4.7
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]+	257.19115	162.6
[M+Na]+	279.17309	164.5
[M-H]-	255.17659	165.9
[M+NH4]+	274.21769	179.0
[M+K]+	295.14703	162.1
[M+H-H2O]+	239.18113	154.5
[M+HCOO]-	301.18207	176.4
[M+CH3COO]-	315.19772	195.6
[M+Na-2H]-	277.15854	160.8
[M]+	256.18332	154.5
[M]-	256.18442	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe