CID 64000054

4-[(4-bromo-3-fluorophenoxy)methyl]-1,3-thiazole

Structural Information

Molecular Formula
C10H7BrFNOS
SMILES
C1=CC(=C(C=C1OCC2=CSC=N2)F)Br
InChI
InChI=1S/C10H7BrFNOS/c11-9-2-1-8(3-10(9)12)14-4-7-5-15-6-13-7/h1-3,5-6H,4H2
InChIKey
QNRVDHFALUARTJ-UHFFFAOYSA-N
Compound name
4-[(4-bromo-3-fluorophenoxy)methyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.9416 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.94888 148.3
[M+Na]+ 309.93082 152.0
[M+NH4]+ 304.97542 153.5
[M+K]+ 325.90476 151.0
[M-H]- 285.93432 149.3
[M+Na-2H]- 307.91627 152.6
[M]+ 286.94105 148.4
[M]- 286.94215 148.4
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.