CID 130225832

2-((difluoromethoxy)methyl)azetidine

Structural Information

Molecular Formula
C5H9F2NO
SMILES
C1CNC1COC(F)F
InChI
InChI=1S/C5H9F2NO/c6-5(7)9-3-4-1-2-8-4/h4-5,8H,1-3H2
InChIKey
LWXIXOAQJBBOLA-UHFFFAOYSA-N
Compound name
2-(difluoromethoxymethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

137.06522 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.072496 125.4
[M+Na]+ 160.054438 130.8
[M-H]- 136.057944 123.4
[M+NH4]+ 155.099043 138.4
[M+K]+ 176.028378 132.8
[M+H-H2O]+ 120.062480 113.1
[M+HCOO]- 182.063421 142.3
[M+CH3COO]- 196.079071 174.1
[M+Na-2H]- 158.039886 129.8
[M]+ 137.06467142 129.2
[M]- 137.06576858 129.2
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