CID 15640484

Perfluoro-2-butyl-3-propyloxaziridine

Structural Information

Molecular Formula
C8F17NO
SMILES
C1(N(O1)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8F17NO/c9-1(10,5(17,18)19)3(13,14)7(23,24)26-8(25,27-26)4(15,16)2(11,12)6(20,21)22
InChIKey
RDGJBZXVLOXHPC-UHFFFAOYSA-N
Compound name
3-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxaziridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

70
Patents

448.97086 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.97814 165.6
[M+Na]+ 471.96008 176.6
[M-H]- 447.96358 152.4
[M+NH4]+ 467.00468 169.0
[M+K]+ 487.93402 173.7
[M+H-H2O]+ 431.96812 149.6
[M+HCOO]- 493.96906 159.9
[M+CH3COO]- 507.98471 229.3
[M+Na-2H]- 469.94553 171.1
[M]+ 448.97031 144.4
[M]- 448.97141 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe