CID 303938

4-(1-bromoethyl)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula

C₈H₈BrFO₂S

SMILES

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

InChI

InChI=1S/C8H8BrFO2S/c1-6(9)7-2-4-8(5-3-7)13(10,11)12/h2-6H,1H3

InChIKey

AOCHGMSBTDYWMU-UHFFFAOYSA-N

Compound name

4-(1-bromoethyl)benzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 265.94125 Da
Monoisotopic Mass: 3.3
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]+	266.94853	137.2
[M+Na]+	288.93047	139.4
[M+NH4]+	283.97507	141.4
[M+K]+	304.90441	139.3
[M-H]-	264.93397	135.7
[M+Na-2H]-	286.91592	140.2
[M]+	265.94070	136.3
[M]-	265.94180	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe