CID 7058647

114145-47-0

Structural Information

Molecular Formula

C₄H₈ClNO₂S

SMILES

C1[C@H]([C@@H](CS1(=O)=O)Cl)N

InChI

InChI=1S/C4H8ClNO2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2,6H2/t3-,4-/m1/s1

InChIKey

COPRYPAOGCTLCJ-QWWZWVQMSA-N

Compound name

(3R,4S)-4-chloro-1,1-dioxothiolan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.99643 Da
Monoisotopic Mass: -0.8
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]+	170.00371	128.4
[M+Na]+	191.98565	138.7
[M-H]-	167.98915	132.3
[M+NH4]+	187.03025	153.7
[M+K]+	207.95959	135.3
[M+H-H2O]+	151.99369	125.9
[M+HCOO]-	213.99463	143.5
[M+CH3COO]-	228.01028	173.2
[M+Na-2H]-	189.97110	130.7
[M]+	168.99588	129.1
[M]-	168.99698	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.