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

5
Patents

252.95609 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.963366 139.1
[M+Na]+ 275.945308 152.9
[M-H]- 251.948814 148.2
[M+NH4]+ 270.989913 161.5
[M+K]+ 291.919248 141.1
[M+H-H2O]+ 235.953350 139.6
[M+HCOO]- 297.954291 157.6
[M+CH3COO]- 311.969941 155.4
[M+Na-2H]- 273.930756 144.7
[M]+ 252.95554142 159.8
[M]- 252.95663858 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