CID 49758386

2-bromo-5-(3-methoxyphenyl)thiazole

Structural Information

Molecular Formula
C10H8BrNOS
SMILES
COC1=CC=CC(=C1)C2=CN=C(S2)Br
InChI
InChI=1S/C10H8BrNOS/c1-13-8-4-2-3-7(5-8)9-6-12-10(11)14-9/h2-6H,1H3
InChIKey
UJDYTKWTQDHYGZ-UHFFFAOYSA-N
Compound name
2-bromo-5-(3-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]+ 269.95828 142.0
[M+Na]+ 291.94022 156.4
[M-H]- 267.94372 151.4
[M+NH4]+ 286.98482 164.0
[M+K]+ 307.91416 144.9
[M+H-H2O]+ 251.94826 142.5
[M+HCOO]- 313.94920 160.7
[M+CH3COO]- 327.96485 158.4
[M+Na-2H]- 289.92567 147.0
[M]+ 268.95045 164.4
[M]- 268.95155 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.