CID 137761

2905-21-7

Structural Information

Molecular Formula

C₆H₄ClFO₂S

SMILES

C1=CC=C(C(=C1)F)S(=O)(=O)Cl

InChI

InChI=1S/C6H4ClFO2S/c7-11(9,10)6-4-2-1-3-5(6)8/h1-4H

InChIKey

ZSZKAQCISWFDCQ-UHFFFAOYSA-N

Compound name

2-fluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2978
Patents: 193.96045 Da
Monoisotopic Mass: 2.0
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]+	194.967726	130.0
[M+Na]+	216.949668	141.3
[M-H]-	192.953174	133.5
[M+NH4]+	211.994273	151.1
[M+K]+	232.923608	137.0
[M+H-H2O]+	176.957710	125.3
[M+HCOO]-	238.958651	144.0
[M+CH3COO]-	252.974301	176.5
[M+Na-2H]-	214.935116	135.4
[M]+	193.95990142	133.1
[M]-	193.96099858	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe