CID 53621255

1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-ol

Structural Information

Molecular Formula
C12H12BrNOS
SMILES
CC1=C(SC(=N1)C2=CC=C(C=C2)Br)C(C)O
InChI
InChI=1S/C12H12BrNOS/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9/h3-6,8,15H,1-2H3
InChIKey
QMRHMRNGDXFMPD-UHFFFAOYSA-N
Compound name
1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.9823 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.98958 150.1
[M+Na]+ 319.97152 153.8
[M+NH4]+ 315.01612 155.4
[M+K]+ 335.94546 153.7
[M-H]- 295.97502 151.8
[M+Na-2H]- 317.95697 154.0
[M]+ 296.98175 150.4
[M]- 296.98285 150.4
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.