CID 82294546

4-bromothiophene-2-sulfonylfluoride

Structural Information

Molecular Formula

C₄H₂BrFO₂S₂

SMILES

C1=C(SC=C1Br)S(=O)(=O)F

InChI

InChI=1S/C4H2BrFO2S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2H

InChIKey

YBBISHJKDPHLQH-UHFFFAOYSA-N

Compound name

4-bromothiophene-2-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.86636 Da
Monoisotopic Mass: 2.4
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]+	244.87364	127.0
[M+Na]+	266.85558	142.6
[M-H]-	242.85908	133.4
[M+NH4]+	261.90018	151.1
[M+K]+	282.82952	130.5
[M+H-H2O]+	226.86362	128.2
[M+HCOO]-	288.86456	139.8
[M+CH3COO]-	302.88021	182.3
[M+Na-2H]-	264.84103	131.8
[M]+	243.86581	147.7
[M]-	243.86691	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.