CID 32114

23892-33-3

Structural Information

Molecular Formula

C₁₅H₁₇ClN₂

SMILES

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

InChI

InChI=1S/C15H17ClN2/c16-14-8-6-13(7-9-14)15(18-11-10-17)12-4-2-1-3-5-12/h1-9,15,18H,10-11,17H2

InChIKey

SDIDMUGFQCMLAB-UHFFFAOYSA-N

Compound name

N'-[(4-chlorophenyl)-phenylmethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 260.10803 Da
Monoisotopic Mass: 2.7
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]+	261.115306	159.9
[M+Na]+	283.097248	165.9
[M-H]-	259.100754	165.5
[M+NH4]+	278.141853	176.4
[M+K]+	299.071188	159.8
[M+H-H2O]+	243.105290	152.8
[M+HCOO]-	305.106231	179.8
[M+CH3COO]-	319.121881	199.9
[M+Na-2H]-	281.082696	164.6
[M]+	260.10748142	159.0
[M]-	260.10857858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe