CID 84668

4-azidobenzoyl chloride

Structural Information

Molecular Formula

C₇H₄ClN₃O

SMILES

C1=CC(=CC=C1C(=O)Cl)N=[N+]=[N-]

InChI

InChI=1S/C7H4ClN3O/c8-7(12)5-1-3-6(4-2-5)10-11-9/h1-4H

InChIKey

XXKYTTAVNYTVFC-UHFFFAOYSA-N

Compound name

4-azidobenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 214
Patents: 181.00429 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]+	182.011566	134.7
[M+Na]+	203.993508	142.9
[M-H]-	179.997014	140.9
[M+NH4]+	199.038113	155.3
[M+K]+	219.967448	135.8
[M+H-H2O]+	164.001550	133.8
[M+HCOO]-	226.002491	161.4
[M+CH3COO]-	240.018141	182.0
[M+Na-2H]-	201.978956	144.4
[M]+	181.00374142	134.4
[M]-	181.00483858	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe