CID 155970388

2639456-38-3

Structural Information

Molecular Formula
C7H10F3NO3
SMILES
COC(=O)COC1(CNC1)C(F)(F)F
InChI
InChI=1S/C7H10F3NO3/c1-13-5(12)2-14-6(3-11-4-6)7(8,9)10/h11H,2-4H2,1H3
InChIKey
ZSRULPZEQMBLKF-UHFFFAOYSA-N
Compound name
methyl 2-[3-(trifluoromethyl)azetidin-3-yl]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.06128 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06856 144.1
[M+Na]+ 236.05050 150.0
[M-H]- 212.05400 141.1
[M+NH4]+ 231.09510 156.0
[M+K]+ 252.02444 152.1
[M+H-H2O]+ 196.05854 132.2
[M+HCOO]- 258.05948 158.3
[M+CH3COO]- 272.07513 184.2
[M+Na-2H]- 234.03595 148.5
[M]+ 213.06073 149.1
[M]- 213.06183 149.1
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

No patent data available for this compound.