CID 2735446

114322-14-4

Structural Information

Molecular Formula

C₆H₃ClN₂O₃S

SMILES

C1=CC2=NON=C2C(=C1)S(=O)(=O)Cl

InChI

InChI=1S/C6H3ClN2O3S/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H

InChIKey

SIYWVPMYOGMRDW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 328
Patents: 217.95529 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]+	218.96257	137.9
[M+Na]+	240.94451	151.9
[M-H]-	216.94801	142.3
[M+NH4]+	235.98911	157.2
[M+K]+	256.91845	149.2
[M+H-H2O]+	200.95255	133.2
[M+HCOO]-	262.95349	152.0
[M+CH3COO]-	276.96914	178.5
[M+Na-2H]-	238.92996	146.1
[M]+	217.95474	146.2
[M]-	217.95584	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe