CID 132992785

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

Structural Information

Molecular Formula
C5H3BrF3NO
SMILES
C1=C(N=C(O1)C(F)(F)F)CBr
InChI
InChI=1S/C5H3BrF3NO/c6-1-3-2-11-4(10-3)5(7,8)9/h2H,1H2
InChIKey
NLFBNKJPMXFAHU-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2-(trifluoromethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.93501 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.94229 139.0
[M+Na]+ 251.92423 152.8
[M-H]- 227.92773 141.5
[M+NH4]+ 246.96883 160.1
[M+K]+ 267.89817 143.4
[M+H-H2O]+ 211.93227 137.3
[M+HCOO]- 273.93321 156.7
[M+CH3COO]- 287.94886 183.6
[M+Na-2H]- 249.90968 146.6
[M]+ 228.93446 155.5
[M]- 228.93556 155.5
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.