CID 537858

71338-62-0

Structural Information

Molecular Formula
C12H10BrNOS
SMILES
CC1=C(SC(=N1)C2=CC=C(C=C2)Br)C(=O)C
InChI
InChI=1S/C12H10BrNOS/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9/h3-6H,1-2H3
InChIKey
GSDSMPMKVBKTCM-UHFFFAOYSA-N
Compound name
1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

294.96664 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.97392 150.0
[M+Na]+ 317.95586 164.2
[M-H]- 293.95936 159.4
[M+NH4]+ 313.00046 171.1
[M+K]+ 333.92980 152.1
[M+H-H2O]+ 277.96390 150.3
[M+HCOO]- 339.96484 167.1
[M+CH3COO]- 353.98049 197.2
[M+Na-2H]- 315.94131 152.4
[M]+ 294.96609 172.1
[M]- 294.96719 172.1
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