CID 50989381

3-(trifluoromethyl)azetidine

Structural Information

Molecular Formula
C4H6F3N
SMILES
C1C(CN1)C(F)(F)F
InChI
InChI=1S/C4H6F3N/c5-4(6,7)3-1-8-2-3/h3,8H,1-2H2
InChIKey
YWMNMYONCOJLDA-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

329
Patents

125.045235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05251 132.6
[M+Na]+ 148.03445 136.2
[M+NH4]+ 143.07906 134.9
[M+K]+ 164.00839 133.5
[M-H]- 124.03796 125.9
[M+Na-2H]- 146.01990 132.9
[M]+ 125.04469 129.8
[M]- 125.04578 129.8
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