CID 217762

39617-47-5

Structural Information

Molecular Formula

C₁₇H₁₈ClN

SMILES

C1CC(CC1N)(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN/c18-15-8-6-14(7-9-15)17(11-10-16(19)12-17)13-4-2-1-3-5-13/h1-9,16H,10-12,19H2

InChIKey

PBXXNPPLSKOFEY-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-3-phenylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 271.11276 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]+	272.12004	164.1
[M+Na]+	294.10198	171.7
[M-H]-	270.10548	173.1
[M+NH4]+	289.14658	184.2
[M+K]+	310.07592	164.6
[M+H-H2O]+	254.11002	157.0
[M+HCOO]-	316.11096	182.7
[M+CH3COO]-	330.12661	176.1
[M+Na-2H]-	292.08743	166.6
[M]+	271.11221	161.2
[M]-	271.11331	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe