CID 57667883

3'-chloro-4-methyl-[1,1'-biphenyl]-3-amine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₂ClN

SMILES

CC1=C(C=C(C=C1)C2=CC(=CC=C2)Cl)N

InChI

InChI=1S/C13H12ClN/c1-9-5-6-11(8-13(9)15)10-3-2-4-12(14)7-10/h2-8H,15H2,1H3

InChIKey

JXBANRWYIZFOEN-UHFFFAOYSA-N

Compound name

5-(3-chlorophenyl)-2-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 217.06583 Da
Monoisotopic Mass: 3.9
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	146.3
[M+Na]+	240.055048	156.3
[M-H]-	216.058554	153.1
[M+NH4]+	235.099653	165.7
[M+K]+	256.028988	150.4
[M+H-H2O]+	200.063090	140.5
[M+HCOO]-	262.064031	166.9
[M+CH3COO]-	276.079681	160.0
[M+Na-2H]-	238.040496	151.6
[M]+	217.06528142	146.8
[M]-	217.06637858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe