CID 4962511

2-(bromomethyl)-5-(4-fluorophenyl)-1,3-oxazole

Structural Information

Molecular Formula
C10H7BrFNO
SMILES
C1=CC(=CC=C1C2=CN=C(O2)CBr)F
InChI
InChI=1S/C10H7BrFNO/c11-5-10-13-6-9(14-10)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKey
WGLQYADVKZNXHC-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-(4-fluorophenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.9695 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.976776 146.8
[M+Na]+ 277.958718 160.1
[M-H]- 253.962224 154.8
[M+NH4]+ 273.003323 167.0
[M+K]+ 293.932658 150.0
[M+H-H2O]+ 237.966760 145.8
[M+HCOO]- 299.967701 167.9
[M+CH3COO]- 313.983351 162.5
[M+Na-2H]- 275.944166 154.0
[M]+ 254.96895142 166.2
[M]- 254.97004858 166.2
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.