CID 22733127

1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula

C₃H₃ClN₂O₂S

SMILES

C1=C(C=NN1)S(=O)(=O)Cl

InChI

InChI=1S/C3H3ClN2O2S/c4-9(7,8)3-1-5-6-2-3/h1-2H,(H,5,6)

InChIKey

MRPFJQLRQGTKNI-UHFFFAOYSA-N

Compound name

1H-pyrazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 279
Patents: 165.96037 Da
Monoisotopic Mass: 0.2
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]+	166.96765	130.4
[M+Na]+	188.94959	141.4
[M+NH4]+	183.99419	137.7
[M+K]+	204.92353	136.7
[M-H]-	164.95309	128.8
[M+Na-2H]-	186.93504	134.7
[M]+	165.95982	132.0
[M]-	165.96092	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe