CID 17857034

3,4-dichloro-n-cyclopentylaniline hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂N

SMILES

C1CCC(C1)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C11H13Cl2N/c12-10-6-5-9(7-11(10)13)14-8-3-1-2-4-8/h5-8,14H,1-4H2

InChIKey

DMWOSVGJUHLSPN-UHFFFAOYSA-N

Compound name

3,4-dichloro-N-cyclopentylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 229.04251 Da
Monoisotopic Mass: 4.6
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]+	230.04979	147.7
[M+Na]+	252.03173	161.2
[M+NH4]+	247.07633	158.2
[M+K]+	268.00567	154.0
[M-H]-	228.03523	152.7
[M+Na-2H]-	250.01718	155.7
[M]+	229.04196	151.6
[M]-	229.04306	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe