CID 122164973

1823464-80-7

Structural Information

Molecular Formula

C₅H₆ClFN₂O₂S

SMILES

CC1=NN(C(=C1S(=O)(=O)Cl)F)C

InChI

InChI=1S/C5H6ClFN2O2S/c1-3-4(12(6,10)11)5(7)9(2)8-3/h1-2H3

InChIKey

KYCXSJDLHKJJRX-UHFFFAOYSA-N

Compound name

5-fluoro-1,3-dimethylpyrazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.98225 Da
Monoisotopic Mass: 1.1
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]+	212.989526	136.7
[M+Na]+	234.971468	150.1
[M-H]-	210.974974	138.1
[M+NH4]+	230.016073	156.8
[M+K]+	250.945408	146.4
[M+H-H2O]+	194.979510	131.3
[M+HCOO]-	256.980451	148.9
[M+CH3COO]-	270.996101	181.3
[M+Na-2H]-	232.956916	138.6
[M]+	211.98170142	141.6
[M]-	211.98279858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.