CID 3043773

Brn 2735995

Structural Information

Molecular Formula

C₁₄H₁₄Cl₂N₂

SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)N)C(Cl)Cl)N

InChI

InChI=1S/C14H14Cl2N2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,13-14H,17-18H2

InChIKey

DBCNRYBAIKNTER-UHFFFAOYSA-N

Compound name

4-[1-(4-aminophenyl)-2,2-dichloroethyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.0534 Da
Monoisotopic Mass: 3.6
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]+	281.060676	162.5
[M+Na]+	303.042618	170.0
[M-H]-	279.046124	167.4
[M+NH4]+	298.087223	178.6
[M+K]+	319.016558	163.1
[M+H-H2O]+	263.050660	156.9
[M+HCOO]-	325.051601	176.1
[M+CH3COO]-	339.067251	202.7
[M+Na-2H]-	301.028066	164.0
[M]+	280.05285142	161.6
[M]-	280.05394858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.