CID 19092845

4-bromo-2-tert-butyl-2,3-dihydro-1lambda6,2-thiazole-1,1,3-trione

Structural Information

Molecular Formula
C7H10BrNO3S
SMILES
CC(C)(C)N1C(=O)C(=CS1(=O)=O)Br
InChI
InChI=1S/C7H10BrNO3S/c1-7(2,3)9-6(10)5(8)4-13(9,11)12/h4H,1-3H3
InChIKey
GDUZDXFNMOFVIH-UHFFFAOYSA-N
Compound name
4-bromo-2-tert-butyl-1,1-dioxo-1,2-thiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

266.95648 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.96376 136.8
[M+Na]+ 289.94570 152.2
[M-H]- 265.94920 143.3
[M+NH4]+ 284.99030 160.8
[M+K]+ 305.91964 141.4
[M+H-H2O]+ 249.95374 139.4
[M+HCOO]- 311.95468 152.6
[M+CH3COO]- 325.97033 188.6
[M+Na-2H]- 287.93115 142.4
[M]+ 266.95593 159.8
[M]- 266.95703 159.8
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

patents stripe