CID 61808738

Bis(3-chlorophenyl)methanamine

Structural Information

Molecular Formula

C₁₃H₁₁Cl₂N

SMILES

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

InChI

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

InChIKey

DIGCKTCICNCRBU-UHFFFAOYSA-N

Compound name

bis(3-chlorophenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 251.02686 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]+	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