CID 146075382

2228952-33-6

Structural Information

Molecular Formula
C10H15F2NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(=O)C(F)F
InChI
InChI=1S/C10H15F2NO3/c1-10(2,3)16-9(15)13-4-6(5-13)7(14)8(11)12/h6,8H,4-5H2,1-3H3
InChIKey
XOOIBUBFLWCXKY-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2,2-difluoroacetyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.102 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10928 153.2
[M+Na]+ 258.09122 158.1
[M-H]- 234.09472 152.6
[M+NH4]+ 253.13582 163.2
[M+K]+ 274.06516 161.0
[M+H-H2O]+ 218.09926 140.6
[M+HCOO]- 280.10020 167.1
[M+CH3COO]- 294.11585 194.5
[M+Na-2H]- 256.07667 152.9
[M]+ 235.10145 160.3
[M]- 235.10255 160.3
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

No patent data available for this compound.