CID 138040394

2243513-68-8

Structural Information

Molecular Formula
C9H10F3NO4
SMILES
CC1=C(OC(=N1)C(CC(=O)O)(C(F)(F)F)O)C
InChI
InChI=1S/C9H10F3NO4/c1-4-5(2)17-7(13-4)8(16,3-6(14)15)9(10,11)12/h16H,3H2,1-2H3,(H,14,15)
InChIKey
LWNLPPDADCNYSL-UHFFFAOYSA-N
Compound name
3-(4,5-dimethyl-1,3-oxazol-2-yl)-4,4,4-trifluoro-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0562 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06348 148.5
[M+Na]+ 276.04542 157.4
[M-H]- 252.04892 145.6
[M+NH4]+ 271.09002 163.6
[M+K]+ 292.01936 156.4
[M+H-H2O]+ 236.05346 141.4
[M+HCOO]- 298.05440 162.2
[M+CH3COO]- 312.07005 187.9
[M+Na-2H]- 274.03087 152.2
[M]+ 253.05565 146.8
[M]- 253.05675 146.8
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

No patent data available for this compound.