CID 43115341

2-chloro-1-n-(1-phenylethyl)benzene-1,4-diamine

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂

SMILES

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

InChI

InChI=1S/C14H15ClN2/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(16)9-13(14)15/h2-10,17H,16H2,1H3

InChIKey

CLZDEJWNOZKAPN-UHFFFAOYSA-N

Compound name

2-chloro-1-N-(1-phenylethyl)benzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.09238 Da
Monoisotopic Mass: 3.7
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]+	247.099656	155.7
[M+Na]+	269.081598	163.1
[M-H]-	245.085104	161.9
[M+NH4]+	264.126203	173.1
[M+K]+	285.055538	157.3
[M+H-H2O]+	229.089640	149.0
[M+HCOO]-	291.090581	175.9
[M+CH3COO]-	305.106231	198.1
[M+Na-2H]-	267.067046	160.2
[M]+	246.09183142	154.9
[M]-	246.09292858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.