CID 217764

39617-48-6

Structural Information

Molecular Formula

C₁₇H₁₇Cl₂N

SMILES

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

InChI

InChI=1S/C17H17Cl2N/c18-14-5-1-12(2-6-14)17(10-9-16(20)11-17)13-3-7-15(19)8-4-13/h1-8,16H,9-11,20H2

InChIKey

BRPCXKROWPSETC-UHFFFAOYSA-N

Compound name

3,3-bis(4-chlorophenyl)cyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 305.0738 Da
Monoisotopic Mass: 4.9
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]+	306.081076	171.5
[M+Na]+	328.063018	180.4
[M-H]-	304.066524	179.9
[M+NH4]+	323.107623	190.9
[M+K]+	344.036958	172.1
[M+H-H2O]+	288.071060	165.1
[M+HCOO]-	350.072001	184.9
[M+CH3COO]-	364.087651	182.9
[M+Na-2H]-	326.048466	172.4
[M]+	305.07325142	170.4
[M]-	305.07434858	170.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe