CID 137949454

2172129-44-9

Structural Information

Molecular Formula

C₃H₃FN₂O₂S₂

SMILES

C1=C(N=NS1)CS(=O)(=O)F

InChI

InChI=1S/C3H3FN2O2S2/c4-10(7,8)2-3-1-9-6-5-3/h1H,2H2

InChIKey

BLCYNCLQRMZSQB-UHFFFAOYSA-N

Compound name

thiadiazol-4-ylmethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.96199 Da
Monoisotopic Mass: 0.2
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]+	182.96927	130.9
[M+Na]+	204.95121	142.3
[M-H]-	180.95471	131.4
[M+NH4]+	199.99581	150.7
[M+K]+	220.92515	139.4
[M+H-H2O]+	164.95925	124.6
[M+HCOO]-	226.96019	143.0
[M+CH3COO]-	240.97584	173.1
[M+Na-2H]-	202.93666	133.4
[M]+	181.96144	133.3
[M]-	181.96254	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.