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]+ 298.06725 151.1
[M+Na]+ 320.04919 159.9
[M-H]- 296.05269 145.3
[M+NH4]+ 315.09379 160.0
[M+K]+ 336.02313 156.2
[M+H-H2O]+ 280.05723 139.1
[M+HCOO]- 342.05817 160.9
[M+CH3COO]- 356.07382 203.2
[M+Na-2H]- 318.03464 154.7
[M]+ 297.05942 146.0
[M]- 297.06052 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.