CID 138989273

2172573-19-0

Structural Information

Molecular Formula

C₅H₅FO₂S₂

SMILES

C1=CSC=C1CS(=O)(=O)F

InChI

InChI=1S/C5H5FO2S2/c6-10(7,8)4-5-1-2-9-3-5/h1-3H,4H2

InChIKey

VBYAQPYDYRQPGI-UHFFFAOYSA-N

Compound name

thiophen-3-ylmethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.9715 Da
Monoisotopic Mass: 1.3
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]+	180.978776	132.6
[M+Na]+	202.960718	143.0
[M-H]-	178.964224	135.6
[M+NH4]+	198.005323	155.1
[M+K]+	218.934658	139.8
[M+H-H2O]+	162.968760	127.3
[M+HCOO]-	224.969701	146.4
[M+CH3COO]-	238.985351	173.7
[M+Na-2H]-	200.946166	134.6
[M]+	179.97095142	134.9
[M]-	179.97204858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.