CID 76411

1,3-benzenedicarbonyl diazide

Structural Information

Molecular Formula

C₈H₄N₆O₂

SMILES

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

InChI

InChI=1S/C8H4N6O2/c9-13-11-7(15)5-2-1-3-6(4-5)8(16)12-14-10/h1-4H

InChIKey

OYSSCEMVGJEQHM-UHFFFAOYSA-N

Compound name

benzene-1,3-dicarbonyl azide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 216.03957 Da
Monoisotopic Mass: 3.6
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]+	217.04685	162.6
[M+Na]+	239.02879	168.6
[M+NH4]+	234.07339	171.0
[M+K]+	255.00273	178.3
[M-H]-	215.03229	157.9
[M+Na-2H]-	237.01424	154.6
[M]+	216.03902	164.1
[M]-	216.04012	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe