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

76
Patents

155.0558 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06308 128.0
[M+Na]+ 178.04502 134.2
[M-H]- 154.04852 124.9
[M+NH4]+ 173.08962 140.5
[M+K]+ 194.01896 135.7
[M+H-H2O]+ 138.05306 115.4
[M+HCOO]- 200.05400 143.3
[M+CH3COO]- 214.06965 175.7
[M+Na-2H]- 176.03047 133.6
[M]+ 155.05525 130.6
[M]- 155.05635 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