CID 151110757

4-benzyl-5-bromo-1,3-thiazole

Structural Information

Molecular Formula
C10H8BrNS
SMILES
C1=CC=C(C=C1)CC2=C(SC=N2)Br
InChI
InChI=1S/C10H8BrNS/c11-10-9(12-7-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey
MQBQHLUCZCUWLP-UHFFFAOYSA-N
Compound name
4-benzyl-5-bromo-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

252.95609 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.96337 138.5
[M+Na]+ 275.94531 143.2
[M+NH4]+ 270.98991 145.0
[M+K]+ 291.91925 141.7
[M-H]- 251.94881 141.3
[M+Na-2H]- 273.93076 144.4
[M]+ 252.95554 139.3
[M]- 252.95664 139.3
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