CID 21850563

135026-17-4

Structural Information

Molecular Formula
C7H7F3N2O3
SMILES
CCOC(=O)C1=C(N=C(O1)N)C(F)(F)F
InChI
InChI=1S/C7H7F3N2O3/c1-2-14-5(13)3-4(7(8,9)10)12-6(11)15-3/h2H2,1H3,(H2,11,12)
InChIKey
MWTKTJSKHCDMOW-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

224.04088 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04816 141.1
[M+Na]+ 247.03010 150.7
[M-H]- 223.03360 140.5
[M+NH4]+ 242.07470 158.2
[M+K]+ 263.00404 150.4
[M+H-H2O]+ 207.03814 132.8
[M+HCOO]- 269.03908 160.3
[M+CH3COO]- 283.05473 187.9
[M+Na-2H]- 245.01555 144.8
[M]+ 224.04033 139.7
[M]- 224.04143 139.7
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