CID 75481665

3-(difluoromethoxy)azetidine

Structural Information

Molecular Formula
C4H7F2NO
SMILES
C1C(CN1)OC(F)F
InChI
InChI=1S/C4H7F2NO/c5-4(6)8-3-1-7-2-3/h3-4,7H,1-2H2
InChIKey
DRBMDELQCZMFKH-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

123.04957 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.056846 120.7
[M+Na]+ 146.038788 126.5
[M-H]- 122.042294 118.8
[M+NH4]+ 141.083393 134.3
[M+K]+ 162.012728 128.8
[M+H-H2O]+ 106.046830 108.6
[M+HCOO]- 168.047771 137.9
[M+CH3COO]- 182.063421 171.1
[M+Na-2H]- 144.024236 125.6
[M]+ 123.04902142 124.1
[M]- 123.05011858 124.1
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