CID 162396594

Dtxsid301032550

Structural Information

Molecular Formula
C14H16F15N2O2
SMILES
C[N+](C)(C)CCCNC(=O)C(C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H15F15N2O2/c1-31(2,3)6-4-5-30-7(32)8(15,16)9(17,18)10(19,20)14(28,29)33-11(21,12(22,23)24)13(25,26)27/h4-6H2,1-3H3/p+1
InChIKey
VRCJLEQJCVWSDW-UHFFFAOYSA-O
Compound name
trimethyl-[3-[[2,2,3,3,4,4,5,5-octafluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentanoyl]amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

529.0972 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.104476 199.3
[M+Na]+ 552.086418 206.5
[M-H]- 528.089924 210.7
[M+NH4]+ 547.131023 209.5
[M+K]+ 568.060358 211.6
[M+H-H2O]+ 512.094460 184.1
[M+HCOO]- 574.095401 218.6
[M+CH3COO]- 588.111051 242.2
[M+Na-2H]- 550.071866 195.5
[M]+ 529.09665142 194.7
[M]- 529.09774858 194.7
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

No patent data available for this compound.