CID 86999

17202-49-2

Structural Information

Molecular Formula

C₇H₅N₃O₄S

SMILES

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

InChI

InChI=1S/C7H5N3O4S/c8-9-10-15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)

InChIKey

OWULJVXJAZBQLL-UHFFFAOYSA-N

Compound name

4-azidosulfonylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 555
Patents: 227.00008 Da
Monoisotopic Mass: 2.0
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]+	228.00736	141.6
[M+Na]+	249.98930	152.0
[M+NH4]+	245.03390	148.0
[M+K]+	265.96324	148.5
[M-H]-	225.99280	144.0
[M+Na-2H]-	247.97475	147.4
[M]+	226.99953	143.7
[M]-	227.00063	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe