CID 101454647

Ortho-fluorofentanyl

Structural Information

Molecular Formula

C₂₂H₂₇FN₂O

SMILES

CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3F

InChI

InChI=1S/C22H27FN2O/c1-2-22(26)25(21-11-7-6-10-20(21)23)19-13-16-24(17-14-19)15-12-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3

InChIKey

BKUWDIVZCJNXRA-UHFFFAOYSA-N

Compound name

N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 354.21075 Da
Monoisotopic Mass: 4.2
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]+	355.218026	187.7
[M+Na]+	377.199968	190.1
[M-H]-	353.203474	194.2
[M+NH4]+	372.244573	198.5
[M+K]+	393.173908	185.3
[M+H-H2O]+	337.208010	175.6
[M+HCOO]-	399.208951	204.7
[M+CH3COO]-	413.224601	220.0
[M+Na-2H]-	375.185416	187.3
[M]+	354.21020142	183.2
[M]-	354.21129858	183.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe