CID 32218

24116-27-6

Structural Information

Molecular Formula
C8H10F5NO2
SMILES
C1CN1CCC(=O)OCC(C(F)(F)F)(F)F
InChI
InChI=1S/C8H10F5NO2/c9-7(10,8(11,12)13)5-16-6(15)1-2-14-3-4-14/h1-5H2
InChIKey
AFJDBZRJNZQTNO-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoropropyl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.06317 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07045 144.7
[M+Na]+ 270.05239 153.7
[M-H]- 246.05589 141.4
[M+NH4]+ 265.09699 155.8
[M+K]+ 286.02633 150.6
[M+H-H2O]+ 230.06043 134.2
[M+HCOO]- 292.06137 158.5
[M+CH3COO]- 306.07702 194.3
[M+Na-2H]- 268.03784 148.8
[M]+ 247.06262 142.5
[M]- 247.06372 142.5
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.