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
2
Annotation Hits

0
References

2119
Patents

230.0667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.073976 144.9
[M+Na]+ 253.055918 153.9
[M-H]- 229.059424 147.1
[M+NH4]+ 248.100523 161.7
[M+K]+ 269.029858 151.3
[M+H-H2O]+ 213.063960 135.7
[M+HCOO]- 275.064901 163.6
[M+CH3COO]- 289.080551 189.3
[M+Na-2H]- 251.041366 149.4
[M]+ 230.06615142 139.6
[M]- 230.06724858 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

literature stripe

Patent stripe

patents stripe