CID 16780150

1394688-94-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0871 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.094376 147.1
[M+Na]+ 254.076318 153.4
[M-H]- 230.079824 146.9
[M+NH4]+ 249.120923 156.6
[M+K]+ 270.050258 152.5
[M+H-H2O]+ 214.084360 132.8
[M+HCOO]- 276.085301 162.0
[M+CH3COO]- 290.100951 189.8
[M+Na-2H]- 252.061766 151.5
[M]+ 231.08655142 150.0
[M]- 231.08764858 150.0
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.