CID 137951948

2193059-42-4

Structural Information

Molecular Formula
C7H6BrNO4S
SMILES
C1COC(O1)C2=C(SC(=N2)Br)C(=O)O
InChI
InChI=1S/C7H6BrNO4S/c8-7-9-3(4(14-7)5(10)11)6-12-1-2-13-6/h6H,1-2H2,(H,10,11)
InChIKey
RCXMSSVPZSDTRK-UHFFFAOYSA-N
Compound name
2-bromo-4-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.9201 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.92738 147.8
[M+Na]+ 301.90932 148.1
[M+NH4]+ 296.95392 151.3
[M+K]+ 317.88326 152.7
[M-H]- 277.91282 149.1
[M+Na-2H]- 299.89477 147.3
[M]+ 278.91955 147.2
[M]- 278.92065 147.2
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.