CID 130965261

1852828-23-9

Structural Information

Molecular Formula

C₅H₈ClNO₂S

SMILES

C1C2C1CN(C2)S(=O)(=O)Cl

InChI

InChI=1S/C5H8ClNO2S/c6-10(8,9)7-2-4-1-5(4)3-7/h4-5H,1-3H2

InChIKey

TWGCHYLDYAIARX-UHFFFAOYSA-N

Compound name

3-azabicyclo[3.1.0]hexane-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 180.99643 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]+	182.00371	135.0
[M+Na]+	203.98565	146.8
[M-H]-	179.98915	139.2
[M+NH4]+	199.03025	153.0
[M+K]+	219.95959	142.6
[M+H-H2O]+	163.99369	130.7
[M+HCOO]-	225.99463	146.6
[M+CH3COO]-	240.01028	178.0
[M+Na-2H]-	201.97110	138.8
[M]+	180.99588	140.6
[M]-	180.99698	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe