CID 45142089

2-bromo-5-(4-methoxyphenyl)-1,3-thiazole

Structural Information

Molecular Formula
C10H8BrNOS
SMILES
COC1=CC=C(C=C1)C2=CN=C(S2)Br
InChI
InChI=1S/C10H8BrNOS/c1-13-8-4-2-7(3-5-8)9-6-12-10(11)14-9/h2-6H,1H3
InChIKey
YHGANOPGYRLLBV-UHFFFAOYSA-N
Compound name
2-bromo-5-(4-methoxyphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.951 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.958276 142.0
[M+Na]+ 291.940218 156.4
[M-H]- 267.943724 151.4
[M+NH4]+ 286.984823 164.0
[M+K]+ 307.914158 144.9
[M+H-H2O]+ 251.948260 142.5
[M+HCOO]- 313.949201 160.7
[M+CH3COO]- 327.964851 158.4
[M+Na-2H]- 289.925666 147.0
[M]+ 268.95045142 164.4
[M]- 268.95154858 164.4
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.