CID 32246

24160-20-1

Structural Information

Molecular Formula
C9H10F7NO2
SMILES
C1CN1CCC(=O)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H10F7NO2/c10-7(11,8(12,13)9(14,15)16)5-19-6(18)1-2-17-3-4-17/h1-5H2
InChIKey
KFTQFKUTBYCXES-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutyl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

297.05997 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.067246 151.1
[M+Na]+ 320.049188 159.9
[M-H]- 296.052694 145.3
[M+NH4]+ 315.093793 160.0
[M+K]+ 336.023128 156.2
[M+H-H2O]+ 280.057230 139.1
[M+HCOO]- 342.058171 160.9
[M+CH3COO]- 356.073821 203.2
[M+Na-2H]- 318.034636 154.7
[M]+ 297.05942142 146.0
[M]- 297.06051858 146.0
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.