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
2
Annotation Hits

0
References

29
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 190.1
[M+Na]+ 503.06109 196.1
[M-H]- 479.06459 198.9
[M+NH4]+ 498.10569 199.0
[M+K]+ 519.03503 202.9
[M+H-H2O]+ 463.06913 172.0
[M+HCOO]- 525.07007 208.1
[M+CH3COO]- 539.08572 230.8
[M+Na-2H]- 501.04654 185.5
[M]+ 480.07132 184.0
[M]- 480.07242 184.0
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

patents stripe