CID 118797035

5-bromopyridine-2-sulfurpentafluoride

Structural Information

Molecular Formula

C₅H₃BrF₅NS

SMILES

C1=CC(=NC=C1Br)S(F)(F)(F)(F)F

InChI

InChI=1S/C5H3BrF5NS/c6-4-1-2-5(12-3-4)13(7,8,9,10)11/h1-3H

InChIKey

VDOYCSUTPYAKEQ-UHFFFAOYSA-N

Compound name

(5-bromopyridin-2-yl)-pentafluoro-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 282.90897 Da
Monoisotopic Mass: 5.1
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]+	283.91625	130.2
[M+Na]+	305.89819	145.4
[M-H]-	281.90169	130.5
[M+NH4]+	300.94279	149.7
[M+K]+	321.87213	132.6
[M+H-H2O]+	265.90623	127.7
[M+HCOO]-	327.90717	141.7
[M+CH3COO]-	341.92282	191.9
[M+Na-2H]-	303.88364	134.3
[M]+	282.90842	144.3
[M]-	282.90952	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe