CID 22017737

4-(benzyloxy)-3-bromoaniline hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₂BrNO

SMILES

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

InChI

InChI=1S/C13H12BrNO/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2

InChIKey

CWOYDLZVKUVCEH-UHFFFAOYSA-N

Compound name

3-bromo-4-phenylmethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 277.01022 Da
Monoisotopic Mass: 3.4
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]+	278.01750	154.2
[M+Na]+	299.99944	164.8
[M-H]-	276.00294	162.9
[M+NH4]+	295.04404	173.4
[M+K]+	315.97338	152.8
[M+H-H2O]+	260.00748	152.9
[M+HCOO]-	322.00842	176.7
[M+CH3COO]-	336.02407	197.0
[M+Na-2H]-	297.98489	161.3
[M]+	277.00967	171.9
[M]-	277.01077	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe