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 145.3
[M+Na]+ 309.93082 159.6
[M-H]- 285.93432 153.3
[M+NH4]+ 304.97542 166.5
[M+K]+ 325.90476 147.8
[M+H-H2O]+ 269.93886 144.8
[M+HCOO]- 331.93980 163.0
[M+CH3COO]- 345.95545 161.1
[M+Na-2H]- 307.91627 149.7
[M]+ 286.94105 166.7
[M]- 286.94215 166.7
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.