CID 2779194

4-bromophenylsulfur pentafluoride

Structural Information

Molecular Formula

C₆H₄BrF₅S

SMILES

C1=CC(=CC=C1S(F)(F)(F)(F)F)Br

InChI

InChI=1S/C6H4BrF5S/c7-5-1-3-6(4-2-5)13(8,9,10,11)12/h1-4H

InChIKey

RECCABBXFXGELM-UHFFFAOYSA-N

Compound name

(4-bromophenyl)-pentafluoro-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 336
Patents: 281.91373 Da
Monoisotopic Mass: 5.9
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]+	282.92101	149.8
[M+Na]+	304.90295	150.7
[M+NH4]+	299.94755	152.1
[M+K]+	320.87689	148.9
[M-H]-	280.90645	145.5
[M+Na-2H]-	302.88840	150.6
[M]+	281.91318	147.8
[M]-	281.91428	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe