CID 55280383

639519-67-8

Structural Information

Molecular Formula

C₃H₆ClNO₂S

SMILES

C1CN(C1)S(=O)(=O)Cl

InChI

InChI=1S/C3H6ClNO2S/c4-8(6,7)5-2-1-3-5/h1-3H2

InChIKey

OPHFRFOWQURJRP-UHFFFAOYSA-N

Compound name

azetidine-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 154.98077 Da
Monoisotopic Mass: 0.4
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]+	155.98805	117.3
[M+Na]+	177.96999	125.1
[M-H]-	153.97349	119.7
[M+NH4]+	173.01459	131.7
[M+K]+	193.94393	125.8
[M+H-H2O]+	137.97803	107.7
[M+HCOO]-	199.97897	128.7
[M+CH3COO]-	213.99462	172.8
[M+Na-2H]-	175.95544	122.6
[M]+	154.98022	128.2
[M]-	154.98132	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe