CID 581438

2-{[(4-chlorophenyl)amino]methyl}phenol

Structural Information

Molecular Formula

C₁₃H₁₂ClNO

SMILES

C1=CC=C(C(=C1)CNC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C13H12ClNO/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16/h1-8,15-16H,9H2

InChIKey

SJLCTRSOOSLQST-UHFFFAOYSA-N

Compound name

2-[(4-chloroanilino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 233.06075 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]+	234.06803	150.0
[M+Na]+	256.04997	165.6
[M+NH4]+	251.09457	159.8
[M+K]+	272.02391	156.7
[M-H]-	232.05347	155.6
[M+Na-2H]-	254.03542	160.3
[M]+	233.06020	154.3
[M]-	233.06130	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe