CID 24100

Fluminorex

Structural Information

Molecular Formula
C10H9F3N2O
SMILES
C1C(OC(=N1)N)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C10H9F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8-5-15-9(14)16-8/h1-4,8H,5H2,(H2,14,15)
InChIKey
NMGYDYBWRZHLHR-UHFFFAOYSA-N
Compound name
5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2109
Patents

230.0667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07398 144.9
[M+Na]+ 253.05592 153.9
[M-H]- 229.05942 147.1
[M+NH4]+ 248.10052 161.7
[M+K]+ 269.02986 151.3
[M+H-H2O]+ 213.06396 135.7
[M+HCOO]- 275.06490 163.6
[M+CH3COO]- 289.08055 189.3
[M+Na-2H]- 251.04137 149.4
[M]+ 230.06615 139.6
[M]- 230.06725 139.6
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.