CID 132992786

4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole

Structural Information

Molecular Formula
C5H4BrF2NO
SMILES
C1=C(N=C(O1)C(F)F)CBr
InChI
InChI=1S/C5H4BrF2NO/c6-1-3-2-10-5(9-3)4(7)8/h2,4H,1H2
InChIKey
LHDUBLOHWGTTLF-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2-(difluoromethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.94443 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.95171 135.0
[M+Na]+ 233.93365 148.0
[M-H]- 209.93715 138.6
[M+NH4]+ 228.97825 156.7
[M+K]+ 249.90759 139.1
[M+H-H2O]+ 193.94169 133.6
[M+HCOO]- 255.94263 154.2
[M+CH3COO]- 269.95828 182.0
[M+Na-2H]- 231.91910 141.5
[M]+ 210.94388 152.7
[M]- 210.94498 152.7
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.