CID 55279479

1260672-13-6

Structural Information

Molecular Formula

C₆H₇ClN₂O₂S

SMILES

C1CC2=C(C=NN2C1)S(=O)(=O)Cl

InChI

InChI=1S/C6H7ClN2O2S/c7-12(10,11)6-4-8-9-3-1-2-5(6)9/h4H,1-3H2

InChIKey

PZQBRDVRQLVSCY-UHFFFAOYSA-N

Compound name

5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 205.99167 Da
Monoisotopic Mass: 0.6
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]+	206.99895	142.8
[M+Na]+	228.98089	154.7
[M-H]-	204.98439	145.9
[M+NH4]+	224.02549	165.5
[M+K]+	244.95483	151.7
[M+H-H2O]+	188.98893	138.4
[M+HCOO]-	250.98987	155.3
[M+CH3COO]-	265.00552	177.4
[M+Na-2H]-	226.96634	145.6
[M]+	205.99112	147.2
[M]-	205.99222	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe