CID 98697

33588-19-1

Structural Information

Molecular Formula
C10H9F3N2O
SMILES
C1COC(=N1)NC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C10H9F3N2O/c11-10(12,13)7-3-1-2-4-8(7)15-9-14-5-6-16-9/h1-4H,5-6H2,(H,14,15)
InChIKey
JPIGWUOESXBJJJ-UHFFFAOYSA-N
Compound name
N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.0667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07398 144.4
[M+Na]+ 253.05592 152.6
[M-H]- 229.05942 146.8
[M+NH4]+ 248.10052 161.2
[M+K]+ 269.02986 150.3
[M+H-H2O]+ 213.06396 134.9
[M+HCOO]- 275.06490 163.8
[M+CH3COO]- 289.08055 188.1
[M+Na-2H]- 251.04137 150.6
[M]+ 230.06615 139.7
[M]- 230.06725 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

No patent data available for this compound.