CID 44119806

914637-94-8

Structural Information

Molecular Formula

C₆H₇ClN₂O₂S

SMILES

C1CC2=NC=C(N2C1)S(=O)(=O)Cl

InChI

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

InChIKey

INKHDZOCLLUBLW-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 205.99167 Da
Monoisotopic Mass: 0.7
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	141.0
[M+Na]+	228.98089	151.5
[M+NH4]+	224.02549	149.2
[M+K]+	244.95483	148.0
[M-H]-	204.98439	140.1
[M+Na-2H]-	226.96634	144.0
[M]+	205.99112	142.7
[M]-	205.99222	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe