CID 125449043

Ethyl 2-amino-4-(difluoromethyl)-1,3-oxazole-5-carboxylate

Structural Information

Molecular Formula
C7H8F2N2O3
SMILES
CCOC(=O)C1=C(N=C(O1)N)C(F)F
InChI
InChI=1S/C7H8F2N2O3/c1-2-13-6(12)4-3(5(8)9)11-7(10)14-4/h5H,2H2,1H3,(H2,10,11)
InChIKey
KTDPYJBYVHHHRI-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

206.0503 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05758 139.2
[M+Na]+ 229.03952 148.0
[M-H]- 205.04302 139.7
[M+NH4]+ 224.08412 156.9
[M+K]+ 245.01346 148.2
[M+H-H2O]+ 189.04756 131.1
[M+HCOO]- 251.04850 160.0
[M+CH3COO]- 265.06415 186.3
[M+Na-2H]- 227.02497 141.3
[M]+ 206.04975 139.0
[M]- 206.05085 139.0
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