CID 138987331

5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-amine

Structural Information

Molecular Formula
C9H5F3N2O
SMILES
C1=C(C=C(C(=C1F)F)F)C2=CN=C(O2)N
InChI
InChI=1S/C9H5F3N2O/c10-5-1-4(2-6(11)8(5)12)7-3-14-9(13)15-7/h1-3H,(H2,13,14)
InChIKey
LRDIQWJXWQHJII-UHFFFAOYSA-N
Compound name
5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0354 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.042676 138.5
[M+Na]+ 237.024618 150.4
[M-H]- 213.028124 141.7
[M+NH4]+ 232.069223 156.4
[M+K]+ 252.998558 147.3
[M+H-H2O]+ 197.032660 129.3
[M+HCOO]- 259.033601 160.6
[M+CH3COO]- 273.049251 188.5
[M+Na-2H]- 235.010066 142.3
[M]+ 214.03485142 135.8
[M]- 214.03594858 135.8
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.