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

418
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 120.7
[M+Na]+ 148.03445 127.5
[M-H]- 124.03796 117.9
[M+NH4]+ 143.07906 134.5
[M+K]+ 164.00839 128.8
[M+H-H2O]+ 108.04250 108.6
[M+HCOO]- 170.04344 136.1
[M+CH3COO]- 184.05909 170.8
[M+Na-2H]- 146.01990 126.8
[M]+ 125.04469 121.5
[M]- 125.04578 121.5
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