CID 11521376

Benzothiazole-2-sulfonyl fluoride

Structural Information

Molecular Formula

C₇H₄FNO₂S₂

SMILES

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)F

InChI

InChI=1S/C7H4FNO2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H

InChIKey

WNKAAUWKENUQEO-UHFFFAOYSA-N

Compound name

1,3-benzothiazole-2-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 216.96675 Da
Monoisotopic Mass: 2.5
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]+	217.97403	141.8
[M+Na]+	239.95597	153.5
[M+NH4]+	235.00057	150.3
[M+K]+	255.92991	145.9
[M-H]-	215.95947	141.7
[M+Na-2H]-	237.94142	146.6
[M]+	216.96620	144.3
[M]-	216.96730	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe