CID 2777126

88398-93-0

Structural Information

Molecular Formula

C₅H₆Cl₂N₂O₂S

SMILES

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

InChI

InChI=1S/C5H6Cl2N2O2S/c1-3-4(12(7,10)11)5(6)9(2)8-3/h1-2H3

InChIKey

HWGVUNSKAPCFNF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 815
Patents: 227.9527 Da
Monoisotopic Mass: 1.6
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]+	228.95998	141.7
[M+Na]+	250.94192	155.0
[M-H]-	226.94542	144.0
[M+NH4]+	245.98652	161.5
[M+K]+	266.91586	150.6
[M+H-H2O]+	210.94996	137.7
[M+HCOO]-	272.95090	149.8
[M+CH3COO]-	286.96655	183.4
[M+Na-2H]-	248.92737	143.3
[M]+	227.95215	148.2
[M]-	227.95325	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe