CID 305087

4718-19-8

Structural Information

Molecular Formula

C₁₅H₁₄BrNO₂

SMILES

CCOC1=CC=C(C=C1)N=CC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C15H14BrNO2/c1-2-19-14-6-4-13(5-7-14)17-10-11-9-12(16)3-8-15(11)18/h3-10,18H,2H2,1H3

InChIKey

RWTSBLZRCLRZSA-UHFFFAOYSA-N

Compound name

4-bromo-2-[(4-ethoxyphenyl)iminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 319.02078 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]+	320.02806	163.8
[M+Na]+	342.01000	174.6
[M-H]-	318.01350	173.0
[M+NH4]+	337.05460	181.7
[M+K]+	357.98394	162.5
[M+H-H2O]+	302.01804	161.9
[M+HCOO]-	364.01898	186.6
[M+CH3COO]-	378.03463	204.9
[M+Na-2H]-	339.99545	170.1
[M]+	319.02023	184.0
[M]-	319.02133	184.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe