CID 87451933

3-[2,2,3,3,4,4-hexafluoro-4-(heptafluoropropoxy)butanamido]-n,n-dimethylpropan-1-amine n-oxide

Structural Information

Molecular Formula
C12H13F13N2O3
SMILES
C[N+](C)(CCCNC(=O)C(C(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-]
InChI
InChI=1S/C12H13F13N2O3/c1-27(2,29)5-3-4-26-6(28)7(13,14)8(15,16)11(22,23)30-12(24,25)9(17,18)10(19,20)21/h3-5H2,1-2H3,(H,26,28)
InChIKey
FNPQQUYBBRHUFI-UHFFFAOYSA-N
Compound name
3-[[2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)butanoyl]amino]-N,N-dimethylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

480.07187 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.07915 163.5
[M+Na]+ 503.06109 164.0
[M+NH4]+ 498.10569 164.5
[M+K]+ 519.03503 164.7
[M-H]- 479.06459 163.1
[M+Na-2H]- 501.04654 162.7
[M]+ 480.07132 163.7
[M]- 480.07242 163.7
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

patents stripe