CID 59046044

2-azidoethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₂H₄ClN₃O₂S

SMILES

C(CS(=O)(=O)Cl)N=[N+]=[N-]

InChI

InChI=1S/C2H4ClN3O2S/c3-9(7,8)2-1-5-6-4/h1-2H2

InChIKey

UNADWWQVAAOJDP-UHFFFAOYSA-N

Compound name

2-azidoethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 168.97127 Da
Monoisotopic Mass: 1.3
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]+	169.97855	128.7
[M+Na]+	191.96049	137.1
[M-H]-	167.96399	132.1
[M+NH4]+	187.00509	150.1
[M+K]+	207.93443	130.5
[M+H-H2O]+	151.96853	128.9
[M+HCOO]-	213.96947	149.4
[M+CH3COO]-	227.98512	174.9
[M+Na-2H]-	189.94594	137.7
[M]+	168.97072	130.1
[M]-	168.97182	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe