CID 115046255

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

Structural Information

Molecular Formula
C8H10BrNOS
SMILES
C1COCCC1C2=CSC(=N2)Br
InChI
InChI=1S/C8H10BrNOS/c9-8-10-7(5-12-8)6-1-3-11-4-2-6/h5-6H,1-4H2
InChIKey
CCTXPIBLWQVCLR-UHFFFAOYSA-N
Compound name
2-bromo-4-(oxan-4-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.96664 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.97392 139.3
[M+Na]+ 269.95586 150.9
[M-H]- 245.95936 148.1
[M+NH4]+ 265.00046 160.4
[M+K]+ 285.92980 141.5
[M+H-H2O]+ 229.96390 140.1
[M+HCOO]- 291.96484 153.8
[M+CH3COO]- 305.98049 154.6
[M+Na-2H]- 267.94131 143.7
[M]+ 246.96609 157.2
[M]- 246.96719 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

No patent data available for this compound.