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

9
Patents

268.951 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.95828 142.3
[M+Na]+ 291.94022 155.9
[M-H]- 267.94372 151.3
[M+NH4]+ 286.98482 164.0
[M+K]+ 307.91416 144.5
[M+H-H2O]+ 251.94826 142.6
[M+HCOO]- 313.94920 161.0
[M+CH3COO]- 327.96485 158.4
[M+Na-2H]- 289.92567 148.0
[M]+ 268.95045 164.3
[M]- 268.95155 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