CID 82134808

4-(5-bromo-2-methoxyphenyl)-2-methylthiazole

Structural Information

Molecular Formula
C11H10BrNOS
SMILES
CC1=NC(=CS1)C2=C(C=CC(=C2)Br)OC
InChI
InChI=1S/C11H10BrNOS/c1-7-13-10(6-15-7)9-5-8(12)3-4-11(9)14-2/h3-6H,1-2H3
InChIKey
JGPKFBMKZGNTKX-UHFFFAOYSA-N
Compound name
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.96664 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.97392 146.1
[M+Na]+ 305.95586 160.8
[M-H]- 281.95936 155.6
[M+NH4]+ 301.00046 167.8
[M+K]+ 321.92980 149.1
[M+H-H2O]+ 265.96390 146.5
[M+HCOO]- 327.96484 164.4
[M+CH3COO]- 341.98049 162.3
[M+Na-2H]- 303.94131 150.0
[M]+ 282.96609 169.1
[M]- 282.96719 169.1
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

No patent data available for this compound.