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]+ 231.073976 144.4
[M+Na]+ 253.055918 152.6
[M-H]- 229.059424 146.8
[M+NH4]+ 248.100523 161.2
[M+K]+ 269.029858 150.3
[M+H-H2O]+ 213.063960 134.9
[M+HCOO]- 275.064901 163.8
[M+CH3COO]- 289.080551 188.1
[M+Na-2H]- 251.041366 150.6
[M]+ 230.06615142 139.7
[M]- 230.06724858 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.