CID 56828157

3-{[3-(trifluoromethoxy)phenyl]methyl}azetidine hydrochloride

Structural Information

Molecular Formula
C11H12F3NO
SMILES
C1C(CN1)CC2=CC(=CC=C2)OC(F)(F)F
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)16-10-3-1-2-8(5-10)4-9-6-15-7-9/h1-3,5,9,15H,4,6-7H2
InChIKey
UUJBVWVQMVQLQI-UHFFFAOYSA-N
Compound name
3-[[3-(trifluoromethoxy)phenyl]methyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

231.0871 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09438 157.3
[M+Na]+ 254.07632 162.2
[M+NH4]+ 249.12092 159.2
[M+K]+ 270.05026 158.2
[M-H]- 230.07982 152.5
[M+Na-2H]- 252.06177 159.2
[M]+ 231.08655 155.3
[M]- 231.08765 155.3
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.