CID 45215

Dtxsid70980986

Structural Information

Molecular Formula

C₁₄H₁₃Cl₂N

SMILES

C1=CC=C(C=C1)CNCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H13Cl2N/c15-13-7-6-12(14(16)8-13)10-17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2

InChIKey

RJIXZWDWKCJXBS-UHFFFAOYSA-N

Compound name

N-[(2,4-dichlorophenyl)methyl]-1-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 265.0425 Da
Monoisotopic Mass: 4.3
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]+	266.049776	157.2
[M+Na]+	288.031718	166.1
[M-H]-	264.035224	162.9
[M+NH4]+	283.076323	174.9
[M+K]+	304.005658	158.8
[M+H-H2O]+	248.039760	151.2
[M+HCOO]-	310.040701	172.8
[M+CH3COO]-	324.056351	169.3
[M+Na-2H]-	286.017166	162.7
[M]+	265.04195142	159.8
[M]-	265.04304858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe