CID 115021571

1889401-88-0

Structural Information

Molecular Formula

C₄H₄ClFN₂O₂S

SMILES

CN1C(=C(C=N1)S(=O)(=O)Cl)F

InChI

InChI=1S/C4H4ClFN2O2S/c1-8-4(6)3(2-7-8)11(5,9)10/h2H,1H3

InChIKey

SOKNNITUSYTIFH-UHFFFAOYSA-N

Compound name

5-fluoro-1-methylpyrazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.9666 Da
Monoisotopic Mass: 0.7
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]+	198.97388	132.7
[M+Na]+	220.95582	145.7
[M-H]-	196.95932	134.0
[M+NH4]+	216.00042	153.1
[M+K]+	236.92976	142.2
[M+H-H2O]+	180.96386	127.1
[M+HCOO]-	242.96480	145.3
[M+CH3COO]-	256.98045	177.1
[M+Na-2H]-	218.94127	135.7
[M]+	197.96605	136.9
[M]-	197.96715	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.