CID 16244342

742107-57-9

Structural Information

Molecular Formula

C₁₃H₁₁Cl₂N

SMILES

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

InChI

InChI=1S/C13H11Cl2N/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,13H,16H2

InChIKey

BWSDVZYTGXWAFC-UHFFFAOYSA-N

Compound name

(3,4-dichlorophenyl)-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 251.02686 Da
Monoisotopic Mass: 4.2
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]+	252.03414	153.6
[M+Na]+	274.01608	170.0
[M+NH4]+	269.06068	163.9
[M+K]+	289.99002	160.5
[M-H]-	250.01958	159.5
[M+Na-2H]-	272.00153	163.9
[M]+	251.02631	158.4
[M]-	251.02741	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe