CID 612515

142246-48-8

Structural Information

Molecular Formula

C₆H₂Cl₂N₂O₃S

SMILES

C1=C(C2=NON=C2C(=C1)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C6H2Cl2N2O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H

InChIKey

BPPRLMZEVZSIIJ-UHFFFAOYSA-N

Compound name

4-chloro-2,1,3-benzoxadiazole-7-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 180
Patents: 251.91632 Da
Monoisotopic Mass: 1.8
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]+	252.92360	148.1
[M+Na]+	274.90554	163.1
[M+NH4]+	269.95014	156.0
[M+K]+	290.87948	157.0
[M-H]-	250.90904	149.1
[M+Na-2H]-	272.89099	153.2
[M]+	251.91577	151.6
[M]-	251.91687	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe