CID 2779696

388088-81-1

Structural Information

Molecular Formula

C₉H₇ClN₂O₃S

SMILES

CC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)Cl

InChI

InChI=1S/C9H7ClN2O3S/c1-6-11-12-9(15-6)7-3-2-4-8(5-7)16(10,13)14/h2-5H,1H3

InChIKey

IZKQGEKIDKCBSX-UHFFFAOYSA-N

Compound name

3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 257.9866 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]+	258.99388	153.0
[M+Na]+	280.97582	167.1
[M+NH4]+	276.02042	160.4
[M+K]+	296.94976	161.6
[M-H]-	256.97932	155.7
[M+Na-2H]-	278.96127	159.5
[M]+	257.98605	156.6
[M]-	257.98715	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe