CID 89692919

Schembl15114459

Structural Information

Molecular Formula
C5H5F2NO3
SMILES
C1C(CN1C(=O)C(=O)O)(F)F
InChI
InChI=1S/C5H5F2NO3/c6-5(7)1-8(2-5)3(9)4(10)11/h1-2H2,(H,10,11)
InChIKey
UAWLQAOEFATZCX-UHFFFAOYSA-N
Compound name
2-(3,3-difluoroazetidin-1-yl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

165.02374 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.03102 130.9
[M+Na]+ 188.01296 138.1
[M-H]- 164.01646 129.8
[M+NH4]+ 183.05756 144.8
[M+K]+ 203.98690 140.6
[M+H-H2O]+ 148.02100 120.1
[M+HCOO]- 210.02194 147.5
[M+CH3COO]- 224.03759 176.5
[M+Na-2H]- 185.99841 134.2
[M]+ 165.02319 135.9
[M]- 165.02429 135.9
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