CID 64159875

5301-01-9

Structural Information

Molecular Formula
C10H7BrFNO
SMILES
C1=CC(=CC(=C1)F)C2=NOC(=C2)CBr
InChI
InChI=1S/C10H7BrFNO/c11-6-9-5-10(13-14-9)7-2-1-3-8(12)4-7/h1-5H,6H2
InChIKey
OYZOJKDQSYNFCP-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-(3-fluorophenyl)-1,2-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 152.3
[M+Na]+ 277.95872 156.7
[M+NH4]+ 273.00332 157.0
[M+K]+ 293.93266 157.1
[M-H]- 253.96222 154.1
[M+Na-2H]- 275.94417 156.2
[M]+ 254.96895 152.3
[M]- 254.97005 152.3
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

No patent data available for this compound.