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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.003706 128.4
[M+Na]+ 191.985648 138.7
[M-H]- 167.989154 132.3
[M+NH4]+ 187.030253 153.7
[M+K]+ 207.959588 135.3
[M+H-H2O]+ 151.993690 125.9
[M+HCOO]- 213.994631 143.5
[M+CH3COO]- 228.010281 173.2
[M+Na-2H]- 189.971096 130.7
[M]+ 168.99588142 129.1
[M]- 168.99697858 129.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.