CID 13307993

93498-41-0

Structural Information

Molecular Formula
C5H4F3NO2
SMILES
C1=C(ON=C1C(F)(F)F)CO
InChI
InChI=1S/C5H4F3NO2/c6-5(7,8)4-1-3(2-10)11-9-4/h1,10H,2H2
InChIKey
SDBWSJXWRRQFKC-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
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

No literature data available for this compound.

Patent stripe

patents stripe