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]+ 255.97678 146.8
[M+Na]+ 277.95872 160.1
[M-H]- 253.96222 154.8
[M+NH4]+ 273.00332 167.0
[M+K]+ 293.93266 150.0
[M+H-H2O]+ 237.96676 145.8
[M+HCOO]- 299.96770 167.9
[M+CH3COO]- 313.98335 162.5
[M+Na-2H]- 275.94417 154.0
[M]+ 254.96895 166.2
[M]- 254.97005 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.