CID 162396598

Dtxsid101032609

Structural Information

Molecular Formula
C25H17F33NO4
SMILES
CC(=O)OC(CC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C[N+](C)(C)CC(=O)O
InChI
InChI=1S/C25H16F33NO4/c1-7(60)63-8(5-59(2,3)6-9(61)62)4-10(26,27)11(28,29)12(30,31)13(32,33)14(34,35)15(36,37)16(38,39)17(40,41)18(42,43)19(44,45)20(46,47)21(48,49)22(50,51)23(52,53)24(54,55)25(56,57)58/h8H,4-6H2,1-3H3/p+1
InChIKey
UHEXBAGRFUKSNI-UHFFFAOYSA-O
Compound name
(2-acetyloxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-tritriacontafluorononadecyl)-(carboxymethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1022.06305 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1023.0703 274.4
[M+Na]+ 1045.0523 275.4
[M-H]- 1021.0558 291.6
[M+NH4]+ 1040.0969 288.8
[M+K]+ 1061.0262 291.5
[M+H-H2O]+ 1005.0603 258.4
[M+HCOO]- 1067.0613 284.1
[M+CH3COO]- 1081.0769 280.9
[M+Na-2H]- 1043.0377 273.2
[M]+ 1022.0625 270.1
[M]- 1022.0636 270.1
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.