CID 62784257

3-(2,2,2-trifluoroethoxy)azetidine

Structural Information

Molecular Formula
C5H8F3NO
SMILES
C1C(CN1)OCC(F)(F)F
InChI
InChI=1S/C5H8F3NO/c6-5(7,8)3-10-4-1-9-2-4/h4,9H,1-3H2
InChIKey
TXTIKGOZUZUFMT-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethoxy)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

155.0558 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.063076 128.0
[M+Na]+ 178.045018 134.2
[M-H]- 154.048524 124.9
[M+NH4]+ 173.089623 140.5
[M+K]+ 194.018958 135.7
[M+H-H2O]+ 138.053060 115.4
[M+HCOO]- 200.054001 143.3
[M+CH3COO]- 214.069651 175.7
[M+Na-2H]- 176.030466 133.6
[M]+ 155.05525142 130.6
[M]- 155.05634858 130.6
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