CID 21878638

2-tert-butyl-5-chloro-2,3-dihydro-1lambda6,2-thiazole-1,1,3-trione

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01427 140.4
[M+Na]+ 245.99621 152.8
[M-H]- 221.99971 144.3
[M+NH4]+ 241.04081 163.4
[M+K]+ 261.97015 149.5
[M+H-H2O]+ 206.00425 137.9
[M+HCOO]- 268.00519 153.4
[M+CH3COO]- 282.02084 182.2
[M+Na-2H]- 243.98166 143.3
[M]+ 223.00644 146.5
[M]- 223.00754 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe