CID 409810

28022-43-7

Structural Information

Molecular Formula

C₁₃H₁₂ClN

SMILES

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

InChI

InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2

InChIKey

XAFODXGEQUOEKN-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 271
Patents: 217.06583 Da
Monoisotopic Mass: 3.5
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]+	218.073106	146.6
[M+Na]+	240.055048	154.4
[M-H]-	216.058554	152.7
[M+NH4]+	235.099653	165.3
[M+K]+	256.028988	148.8
[M+H-H2O]+	200.063090	140.4
[M+HCOO]-	262.064031	166.2
[M+CH3COO]-	276.079681	159.4
[M+Na-2H]-	238.040496	152.2
[M]+	217.06528142	145.7
[M]-	217.06637858	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe