CID 66528

84-23-1

Structural Information

Molecular Formula

C₁₀H₆N₂O₄S

SMILES

C1=CC=C2C(=C1)C(=CC3=C2N=NO3)S(=O)(=O)O

InChI

InChI=1S/C10H6N2O4S/c13-17(14,15)9-5-8-10(11-12-16-8)7-4-2-1-3-6(7)9/h1-5H,(H,13,14,15)

InChIKey

WHHIIGNOLGKQPD-UHFFFAOYSA-N

Compound name

benzo[e][1,2,3]benzoxadiazole-5-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 3
Patents: 250.00482 Da
Monoisotopic Mass: 1.2
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]+	251.01210	149.5
[M+Na]+	272.99404	163.6
[M+NH4]+	268.03864	157.0
[M+K]+	288.96798	158.7
[M-H]-	248.99754	150.9
[M+Na-2H]-	270.97949	154.5
[M]+	250.00427	152.4
[M]-	250.00537	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe