CID 32217

1-aziridinepropionic acid, 2,2,3,3-tetrafluoropropyl ester

Structural Information

Molecular Formula
C8H11F4NO2
SMILES
C1CN1CCC(=O)OCC(C(F)F)(F)F
InChI
InChI=1S/C8H11F4NO2/c9-7(10)8(11,12)5-15-6(14)1-2-13-3-4-13/h7H,1-5H2
InChIKey
YIGFGHLZTPDERR-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoropropyl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.07259 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.07987 142.8
[M+Na]+ 252.06181 151.2
[M-H]- 228.06531 140.5
[M+NH4]+ 247.10641 154.4
[M+K]+ 268.03575 148.4
[M+H-H2O]+ 212.06985 132.6
[M+HCOO]- 274.07079 158.2
[M+CH3COO]- 288.08644 192.6
[M+Na-2H]- 250.04726 145.5
[M]+ 229.07204 141.9
[M]- 229.07314 141.9
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

No patent data available for this compound.