CID 126971909

[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol

Structural Information

Molecular Formula
C5H4F3NO2
SMILES
C1=NC(=C(O1)C(F)(F)F)CO
InChI
InChI=1S/C5H4F3NO2/c6-5(7,8)4-3(1-10)9-2-11-4/h2,10H,1H2
InChIKey
QLBHKSMRSRAWSK-UHFFFAOYSA-N
Compound name
[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

167.01941 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02669 136.2
[M+Na]+ 190.00863 144.2
[M+NH4]+ 185.05323 141.1
[M+K]+ 205.98257 142.4
[M-H]- 166.01213 132.3
[M+Na-2H]- 187.99408 138.4
[M]+ 167.01886 135.9
[M]- 167.01996 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe