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 138.5
[M+Na]+ 237.02462 150.4
[M-H]- 213.02812 141.7
[M+NH4]+ 232.06922 156.4
[M+K]+ 252.99856 147.3
[M+H-H2O]+ 197.03266 129.3
[M+HCOO]- 259.03360 160.6
[M+CH3COO]- 273.04925 188.5
[M+Na-2H]- 235.01007 142.3
[M]+ 214.03485 135.8
[M]- 214.03595 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.