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

4
Patents

167.01941 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.026686 125.5
[M+Na]+ 190.008628 135.6
[M-H]- 166.012134 123.8
[M+NH4]+ 185.053233 144.7
[M+K]+ 205.982568 135.0
[M+H-H2O]+ 150.016670 118.0
[M+HCOO]- 212.017611 144.1
[M+CH3COO]- 226.033261 172.4
[M+Na-2H]- 187.994076 132.3
[M]+ 167.01886142 123.0
[M]- 167.01995858 123.0
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