CID 61324975

2503204-43-9

Structural Information

Molecular Formula
C10H8F3N3O
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=NO2)CN
InChI
InChI=1S/C10H8F3N3O/c11-10(12,13)7-3-1-2-6(4-7)9-15-8(5-14)16-17-9/h1-4H,5,14H2
InChIKey
KLPCNEPXRJKVHL-UHFFFAOYSA-N
Compound name
[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.06195 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06923 152.7
[M+Na]+ 266.05117 161.9
[M+NH4]+ 261.09577 157.4
[M+K]+ 282.02511 159.3
[M-H]- 242.05467 151.5
[M+Na-2H]- 264.03662 157.3
[M]+ 243.06140 153.3
[M]- 243.06250 153.3
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.