CID 45923672

1,4-dimethyl-1h-pyrazole-5-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₇ClN₂O₂S

SMILES

CC1=C(N(N=C1)C)S(=O)(=O)Cl

InChI

InChI=1S/C5H7ClN2O2S/c1-4-3-7-8(2)5(4)11(6,9)10/h3H,1-2H3

InChIKey

SAVUTYCQFZZSEI-UHFFFAOYSA-N

Compound name

2,4-dimethylpyrazole-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 193.99167 Da
Monoisotopic Mass: 1.0
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]+	194.99895	139.5
[M+Na]+	216.98089	151.4
[M+NH4]+	212.02549	146.9
[M+K]+	232.95483	146.3
[M-H]-	192.98439	138.5
[M+Na-2H]-	214.96634	143.4
[M]+	193.99112	141.5
[M]-	193.99222	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe