CID 96353

15436-35-8

Structural Information

Molecular Formula

C₆H₈Cl₃NOS

SMILES

C1CCS(=NC(=O)C(Cl)(Cl)Cl)C1

InChI

InChI=1S/C6H8Cl3NOS/c7-6(8,9)5(11)10-12-3-1-2-4-12/h1-4H2

InChIKey

LNBNCOGHHLHNEO-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-N-(thiolan-1-ylidene)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 246.93922 Da
Monoisotopic Mass: 3.3
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]+	247.94650	153.8
[M+Na]+	269.92844	161.6
[M-H]-	245.93194	157.4
[M+NH4]+	264.97304	174.7
[M+K]+	285.90238	157.0
[M+H-H2O]+	229.93648	150.9
[M+HCOO]-	291.93742	157.2
[M+CH3COO]-	305.95307	187.9
[M+Na-2H]-	267.91389	153.6
[M]+	246.93867	154.9
[M]-	246.93977	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe