CID 54762967

2-azido-5-bromobenzaldehyde

Structural Information

Molecular Formula

C₇H₄BrN₃O

SMILES

C1=CC(=C(C=C1Br)C=O)N=[N+]=[N-]

InChI

InChI=1S/C7H4BrN3O/c8-6-1-2-7(10-11-9)5(3-6)4-12/h1-4H

InChIKey

LBXSADAVZHXOBB-UHFFFAOYSA-N

Compound name

2-azido-5-bromobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 224.95377 Da
Monoisotopic Mass: 3.0
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]+	225.96105	141.1
[M+Na]+	247.94299	145.3
[M+NH4]+	242.98759	146.3
[M+K]+	263.91693	146.0
[M-H]-	223.94649	144.7
[M+Na-2H]-	245.92844	145.9
[M]+	224.95322	141.4
[M]-	224.95432	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe