CID 14897547

133042-63-4

Structural Information

Molecular Formula

C₆H₄BrFO₃S

SMILES

C1=CC(=CC=C1OS(=O)(=O)F)Br

InChI

InChI=1S/C6H4BrFO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H

InChIKey

OKPKIYNXQNWDCU-UHFFFAOYSA-N

Compound name

1-bromo-4-fluorosulfonyloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 253.90486 Da
Monoisotopic Mass: 2.7
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]+	254.91214	132.4
[M+Na]+	276.89408	146.2
[M-H]-	252.89758	138.4
[M+NH4]+	271.93868	153.9
[M+K]+	292.86802	135.1
[M+H-H2O]+	236.90212	132.6
[M+HCOO]-	298.90306	149.1
[M+CH3COO]-	312.91871	185.1
[M+Na-2H]-	274.87953	140.1
[M]+	253.90431	153.6
[M]-	253.90541	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe