CID 14951213

7-benzothiazolesulfonyl chloride

Structural Information

Molecular Formula

C₇H₄ClNO₂S₂

SMILES

C1=CC2=C(C(=C1)S(=O)(=O)Cl)SC=N2

InChI

InChI=1S/C7H4ClNO2S2/c8-13(10,11)6-3-1-2-5-7(6)12-4-9-5/h1-4H

InChIKey

ZHMDZMBWMHHILN-UHFFFAOYSA-N

Compound name

1,3-benzothiazole-7-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 232.9372 Da
Monoisotopic Mass: 2.4
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]+	233.94448	146.1
[M+Na]+	255.92642	159.6
[M+NH4]+	250.97102	155.6
[M+K]+	271.90036	150.9
[M-H]-	231.92992	147.5
[M+Na-2H]-	253.91187	151.7
[M]+	232.93665	149.7
[M]-	232.93775	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe