CID 57348979

3-[(perfluorooxooctyl)amino]propyltrimethylammoniumiodide

Structural Information

Molecular Formula
C14H16F15N2O
SMILES
C[N+](C)(C)CCCNC(C(C(C(C(C(C(C(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H16F15N2O/c1-31(2,3)6-4-5-30-14(28,29)13(26,27)12(24,25)11(22,23)10(20,21)9(18,19)8(16,17)7(15)32/h30H,4-6H2,1-3H3/q+1
InChIKey
SIXGWDZLDUUIHP-UHFFFAOYSA-N
Compound name
trimethyl-[3-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-oxooctyl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

513.1023 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.109576 198.7
[M+Na]+ 536.091518 206.2
[M-H]- 512.095024 209.3
[M+NH4]+ 531.136123 208.3
[M+K]+ 552.065458 211.6
[M+H-H2O]+ 496.099560 183.4
[M+HCOO]- 558.100501 217.8
[M+CH3COO]- 572.116151 242.3
[M+Na-2H]- 534.076966 195.1
[M]+ 513.10175142 194.2
[M]- 513.10284858 194.2
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.