CID 146291

Dezinamide

Structural Information

Molecular Formula
C11H11F3N2O2
SMILES
C1C(CN1C(=O)N)OC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C11H11F3N2O2/c12-11(13,14)7-2-1-3-8(4-7)18-9-5-16(6-9)10(15)17/h1-4,9H,5-6H2,(H2,15,17)
InChIKey
LIAILJLSVRAGSM-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

320
Patents

260.07727 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08455 156.2
[M+Na]+ 283.06649 162.4
[M-H]- 259.06999 157.1
[M+NH4]+ 278.11109 164.6
[M+K]+ 299.04043 162.7
[M+H-H2O]+ 243.07453 140.9
[M+HCOO]- 305.07547 172.1
[M+CH3COO]- 319.09112 198.9
[M+Na-2H]- 281.05194 158.1
[M]+ 260.07672 159.4
[M]- 260.07782 159.4
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