CID 55226163

1275499-44-9

Structural Information

Molecular Formula
C10H8F3N3O
SMILES
C1=CC(=CC=C1CC2=NC(=NO2)N)C(F)(F)F
InChI
InChI=1S/C10H8F3N3O/c11-10(12,13)7-3-1-6(2-4-7)5-8-15-9(14)16-17-8/h1-4H,5H2,(H2,14,16)
InChIKey
YMOBTPXQBCEKOH-UHFFFAOYSA-N
Compound name
5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.06195 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06923 148.0
[M+Na]+ 266.05117 158.1
[M-H]- 242.05467 149.2
[M+NH4]+ 261.09577 162.9
[M+K]+ 282.02511 155.0
[M+H-H2O]+ 226.05921 137.7
[M+HCOO]- 288.06015 166.8
[M+CH3COO]- 302.07580 191.7
[M+Na-2H]- 264.03662 153.3
[M]+ 243.06140 144.7
[M]- 243.06250 144.7
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.