CID 145874622

3-iodothiophene-2-sulfonyl fluoride

Structural Information

Molecular Formula

C₄H₂FIO₂S₂

SMILES

C1=CSC(=C1I)S(=O)(=O)F

InChI

InChI=1S/C4H2FIO2S2/c5-10(7,8)4-3(6)1-2-9-4/h1-2H

InChIKey

RUKUORHXDYRKCE-UHFFFAOYSA-N

Compound name

3-iodothiophene-2-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.8525 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]+	292.85978	142.1
[M+Na]+	314.84172	146.2
[M-H]-	290.84522	138.6
[M+NH4]+	309.88632	159.5
[M+K]+	330.81566	148.6
[M+H-H2O]+	274.84976	133.4
[M+HCOO]-	336.85070	151.4
[M+CH3COO]-	350.86635	183.4
[M+Na-2H]-	312.82717	131.9
[M]+	291.85195	141.7
[M]-	291.85305	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.