CID 22886874

Mefpbch

Structural Information

Molecular Formula

C₁₉H₂₇F

SMILES

CC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H27F/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(20)13-11-18/h10-17H,2-9H2,1H3

InChIKey

WIVNDAORCLJRGS-UHFFFAOYSA-N

Compound name

1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 274.2097 Da
Monoisotopic Mass: 7.3
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]+	275.21698	167.9
[M+Na]+	297.19892	170.3
[M-H]-	273.20242	174.3
[M+NH4]+	292.24352	183.4
[M+K]+	313.17286	165.3
[M+H-H2O]+	257.20696	158.3
[M+HCOO]-	319.20790	182.1
[M+CH3COO]-	333.22355	177.0
[M+Na-2H]-	295.18437	166.6
[M]+	274.20915	157.3
[M]-	274.21025	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe