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]+ 214.068556 144.1
[M+Na]+ 236.050498 150.0
[M-H]- 212.054004 141.1
[M+NH4]+ 231.095103 156.0
[M+K]+ 252.024438 152.1
[M+H-H2O]+ 196.058540 132.2
[M+HCOO]- 258.059481 158.3
[M+CH3COO]- 272.075131 184.2
[M+Na-2H]- 234.035946 148.5
[M]+ 213.06073142 149.1
[M]- 213.06182858 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.