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 151.7
[M+Na]+ 319.97152 165.0
[M-H]- 295.97502 159.7
[M+NH4]+ 315.01612 172.0
[M+K]+ 335.94546 152.6
[M+H-H2O]+ 279.97956 152.1
[M+HCOO]- 341.98050 167.1
[M+CH3COO]- 355.99615 195.6
[M+Na-2H]- 317.95697 153.6
[M]+ 296.98175 172.7
[M]- 296.98285 172.7
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.