CID 86811577

3-[(difluoromethoxy)methyl]azetidine

Structural Information

Molecular Formula
C5H9F2NO
SMILES
C1C(CN1)COC(F)F
InChI
InChI=1S/C5H9F2NO/c6-5(7)9-3-4-1-8-2-4/h4-5,8H,1-3H2
InChIKey
BRNIYKPLAWJHAW-UHFFFAOYSA-N
Compound name
3-(difluoromethoxymethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

137.06522 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07250 132.0
[M+Na]+ 160.05444 135.9
[M+NH4]+ 155.09904 134.6
[M+K]+ 176.02838 133.1
[M-H]- 136.05794 126.5
[M+Na-2H]- 158.03989 132.3
[M]+ 137.06467 129.4
[M]- 137.06577 129.4
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