CID 115046263

2-bromo-5-(oxan-4-yl)-1,3-thiazole

Structural Information

Molecular Formula
C8H10BrNOS
SMILES
C1COCCC1C2=CN=C(S2)Br
InChI
InChI=1S/C8H10BrNOS/c9-8-10-5-7(12-8)6-1-3-11-4-2-6/h5-6H,1-4H2
InChIKey
WLOOTHSTBBHCIU-UHFFFAOYSA-N
Compound name
2-bromo-5-(oxan-4-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

246.96664 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.973916 139.3
[M+Na]+ 269.955858 150.9
[M-H]- 245.959364 148.1
[M+NH4]+ 265.000463 160.4
[M+K]+ 285.929798 141.5
[M+H-H2O]+ 229.963900 140.1
[M+HCOO]- 291.964841 153.8
[M+CH3COO]- 305.980491 154.6
[M+Na-2H]- 267.941306 143.7
[M]+ 246.96609142 157.2
[M]- 246.96718858 157.2
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

patents stripe