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]+ 215.04268 146.5
[M+Na]+ 237.02462 157.1
[M+NH4]+ 232.06922 152.3
[M+K]+ 252.99856 153.4
[M-H]- 213.02812 146.8
[M+Na-2H]- 235.01007 151.2
[M]+ 214.03485 147.8
[M]- 214.03595 147.8
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.