CID 1241566

Bio7h2

Structural Information

Molecular Formula

C₁₂H₈Br₂N₂O

SMILES

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

InChI

InChI=1S/C12H8Br2N2O/c13-9-5-8(12(17)10(14)6-9)7-16-11-3-1-2-4-15-11/h1-7,17H

InChIKey

DMKCSXSPFSKZOB-UHFFFAOYSA-N

Compound name

2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 353.90033 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]+	354.90761	150.4
[M+Na]+	376.88955	161.0
[M-H]-	352.89305	158.6
[M+NH4]+	371.93415	166.5
[M+K]+	392.86349	144.9
[M+H-H2O]+	336.89759	157.0
[M+HCOO]-	398.89853	167.3
[M+CH3COO]-	412.91418	212.0
[M+Na-2H]-	374.87500	158.1
[M]+	353.89978	184.3
[M]-	353.90088	184.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe