CID 5017914

763132-62-3

Structural Information

Molecular Formula

C₁₄H₁₄BrNO₂

SMILES

COC1=CC=C(C=C1)NCC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C14H14BrNO2/c1-18-13-5-3-12(4-6-13)16-9-10-8-11(15)2-7-14(10)17/h2-8,16-17H,9H2,1H3

InChIKey

YGTRENLQWRENHX-UHFFFAOYSA-N

Compound name

4-bromo-2-[(4-methoxyanilino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 307.02078 Da
Monoisotopic Mass: 3.5
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]+	308.02806	161.0
[M+Na]+	330.01000	171.4
[M-H]-	306.01350	169.0
[M+NH4]+	325.05460	178.7
[M+K]+	345.98394	159.2
[M+H-H2O]+	290.01804	159.4
[M+HCOO]-	352.01898	182.5
[M+CH3COO]-	366.03463	201.1
[M+Na-2H]-	327.99545	167.4
[M]+	307.02023	179.9
[M]-	307.02133	179.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.