CID 1286593

329936-58-5

Structural Information

Molecular Formula

C₁₃H₈Br₂ClNO

SMILES

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

InChI

InChI=1S/C13H8Br2ClNO/c14-9-5-8(13(18)10(15)6-9)7-17-12-4-2-1-3-11(12)16/h1-7,18H

InChIKey

QUDHORHEMHURQB-UHFFFAOYSA-N

Compound name

2,4-dibromo-6-[(2-chlorophenyl)iminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 386.86612 Da
Monoisotopic Mass: 4.9
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]+	387.87340	159.2
[M+Na]+	409.85534	171.3
[M-H]-	385.85884	168.5
[M+NH4]+	404.89994	176.3
[M+K]+	425.82928	153.5
[M+H-H2O]+	369.86338	166.7
[M+HCOO]-	431.86432	173.0
[M+CH3COO]-	445.87997	216.0
[M+Na-2H]-	407.84079	165.2
[M]+	386.86557	194.8
[M]-	386.86667	194.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe