CID 71669036

1642583-15-0

Structural Information

Molecular Formula

C₆H₄ClN₃O₂S

SMILES

C1=CN2C(=C(C=N2)S(=O)(=O)Cl)N=C1

InChI

InChI=1S/C6H4ClN3O2S/c7-13(11,12)5-4-9-10-3-1-2-8-6(5)10/h1-4H

InChIKey

VXCMOFRNEHXSSS-UHFFFAOYSA-N

Compound name

pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 216.97127 Da
Monoisotopic Mass: 0.3
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]+	217.978546	140.0
[M+Na]+	239.960488	154.0
[M-H]-	215.963994	142.2
[M+NH4]+	235.005093	159.2
[M+K]+	255.934428	149.7
[M+H-H2O]+	199.968530	134.2
[M+HCOO]-	261.969471	153.2
[M+CH3COO]-	275.985121	154.1
[M+Na-2H]-	237.945936	147.2
[M]+	216.97072142	146.7
[M]-	216.97181858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe