CID 131016367

2567498-60-4

Structural Information

Molecular Formula
C5H8F3N
SMILES
CC1(CNC1)C(F)(F)F
InChI
InChI=1S/C5H8F3N/c1-4(2-9-3-4)5(6,7)8/h9H,2-3H2,1H3
InChIKey
BPIVTZCUMUGOJY-UHFFFAOYSA-N
Compound name
3-methyl-3-(trifluoromethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.06088 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06816 136.9
[M+Na]+ 162.05010 140.5
[M+NH4]+ 157.09470 140.3
[M+K]+ 178.02404 136.1
[M-H]- 138.05360 130.2
[M+Na-2H]- 160.03555 138.4
[M]+ 139.06033 134.3
[M]- 139.06143 134.3
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.