CID 594587

3,5-dimethyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₇ClN₂O₂S

SMILES

CC1=C(C(=NN1)C)S(=O)(=O)Cl

InChI

InChI=1S/C5H7ClN2O2S/c1-3-5(11(6,9)10)4(2)8-7-3/h1-2H3,(H,7,8)

InChIKey

NBGSZCQLPLYKJH-UHFFFAOYSA-N

Compound name

3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
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	139.7
[M+Na]+	216.98089	151.0
[M+NH4]+	212.02549	146.7
[M+K]+	232.95483	146.3
[M-H]-	192.98439	138.2
[M+Na-2H]-	214.96634	143.0
[M]+	193.99112	141.4
[M]-	193.99222	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe