CID 138039679

2241139-56-8

Structural Information

Molecular Formula
C7H9F3N2O2
SMILES
CC1=CN=C(O1)C(CN)(C(F)(F)F)O
InChI
InChI=1S/C7H9F3N2O2/c1-4-2-12-5(14-4)6(13,3-11)7(8,9)10/h2,13H,3,11H2,1H3
InChIKey
VONLVZZSQJSMAO-UHFFFAOYSA-N
Compound name
3-amino-1,1,1-trifluoro-2-(5-methyl-1,3-oxazol-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06161 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06889 139.4
[M+Na]+ 233.05083 148.0
[M-H]- 209.05433 137.2
[M+NH4]+ 228.09543 156.3
[M+K]+ 249.02477 146.9
[M+H-H2O]+ 193.05887 131.7
[M+HCOO]- 255.05981 156.1
[M+CH3COO]- 269.07546 183.2
[M+Na-2H]- 231.03628 145.4
[M]+ 210.06106 135.2
[M]- 210.06216 135.2
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.