CID 2781151

5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-ol

Structural Information

Molecular Formula
C4H4F3NO2
SMILES
C1C=NOC1(C(F)(F)F)O
InChI
InChI=1S/C4H4F3NO2/c5-4(6,7)3(9)1-2-8-10-3/h2,9H,1H2
InChIKey
CBDSQULSETVXPZ-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

155.01941 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.026686 121.9
[M+Na]+ 178.008628 131.4
[M-H]- 154.012134 120.1
[M+NH4]+ 173.053233 143.3
[M+K]+ 193.982568 131.5
[M+H-H2O]+ 138.016670 115.4
[M+HCOO]- 200.017611 139.4
[M+CH3COO]- 214.033261 168.1
[M+Na-2H]- 175.994076 130.3
[M]+ 155.01886142 117.6
[M]- 155.01995858 117.6
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