CID 2779194

1-bromo-4-(pentafluoro-lambda6-sulfanyl)benzene

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: 345
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	132.4
[M+Na]+	304.90295	147.1
[M-H]-	280.90645	133.8
[M+NH4]+	299.94755	153.1
[M+K]+	320.87689	134.2
[M+H-H2O]+	264.91099	130.3
[M+HCOO]-	326.91193	144.7
[M+CH3COO]-	340.92758	192.3
[M+Na-2H]-	302.88840	135.8
[M]+	281.91318	146.2
[M]-	281.91428	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe