CID 1268285

4-benzyloxy-3-chloroaniline

Structural Information

Molecular Formula

C₁₃H₁₂ClNO

SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)N)Cl

InChI

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

InChIKey

WOWKZTBVWKKGJV-UHFFFAOYSA-N

Compound name

3-chloro-4-phenylmethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 371
Patents: 233.06075 Da
Monoisotopic Mass: 3.3
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]+	234.06803	149.7
[M+Na]+	256.04997	165.5
[M+NH4]+	251.09457	159.6
[M+K]+	272.02391	156.5
[M-H]-	232.05347	155.6
[M+Na-2H]-	254.03542	160.1
[M]+	233.06020	154.1
[M]-	233.06130	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe