CID 21878638

850314-47-5

Structural Information

Molecular Formula

C₇H₁₀ClNO₃S

SMILES

CC(C)(C)N1C(=O)C=C(S1(=O)=O)Cl

InChI

InChI=1S/C7H10ClNO3S/c1-7(2,3)9-6(10)4-5(8)13(9,11)12/h4H,1-3H3

InChIKey

HVIHMBJTRYBOCP-UHFFFAOYSA-N

Compound name

2-tert-butyl-5-chloro-1,1-dioxo-1,2-thiazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 223.00699 Da
Monoisotopic Mass: 1.0
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]+	224.01427	146.8
[M+Na]+	245.99621	157.6
[M+NH4]+	241.04081	155.2
[M+K]+	261.97015	151.1
[M-H]-	221.99971	145.6
[M+Na-2H]-	243.98166	150.9
[M]+	223.00644	148.7
[M]-	223.00754	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe