CID 28782427

4-[(4-bromophenoxy)methyl]-1,3-thiazole

Structural Information

Molecular Formula
C10H8BrNOS
SMILES
C1=CC(=CC=C1OCC2=CSC=N2)Br
InChI
InChI=1S/C10H8BrNOS/c11-8-1-3-10(4-2-8)13-5-9-6-14-7-12-9/h1-4,6-7H,5H2
InChIKey
CAYASBDAZDMLGD-UHFFFAOYSA-N
Compound name
4-[(4-bromophenoxy)methyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

268.951 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.958276 142.3
[M+Na]+ 291.940218 155.9
[M-H]- 267.943724 151.3
[M+NH4]+ 286.984823 164.0
[M+K]+ 307.914158 144.5
[M+H-H2O]+ 251.948260 142.6
[M+HCOO]- 313.949201 161.0
[M+CH3COO]- 327.964851 158.4
[M+Na-2H]- 289.925666 148.0
[M]+ 268.95045142 164.3
[M]- 268.95154858 164.3
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

patents stripe