CID 61392934

1803607-88-6

Structural Information

Molecular Formula
C11H10F3N3O
SMILES
C1=CC(=CC(=C1)C2=NC(=NO2)CC(F)(F)F)CN
InChI
InChI=1S/C11H10F3N3O/c12-11(13,14)5-9-16-10(18-17-9)8-3-1-2-7(4-8)6-15/h1-4H,5-6,15H2
InChIKey
QYLCTXQJFDVWPU-UHFFFAOYSA-N
Compound name
[3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.0776 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08488 152.7
[M+Na]+ 280.06682 162.3
[M-H]- 256.07032 153.7
[M+NH4]+ 275.11142 167.0
[M+K]+ 296.04076 159.0
[M+H-H2O]+ 240.07486 142.2
[M+HCOO]- 302.07580 171.2
[M+CH3COO]- 316.09145 194.7
[M+Na-2H]- 278.05227 157.5
[M]+ 257.07705 149.7
[M]- 257.07815 149.7
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

patents stripe