CID 3023872

94159-81-6

Structural Information

Molecular Formula
C16H19F17N2O
SMILES
CN(C)CCCNCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C16H19F17N2O/c1-35(2)5-3-4-34-7-8(36)6-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h8,34,36H,3-7H2,1-2H3
InChIKey
PPEQDXFGRTWOEV-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propylamino]-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

578.1226 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.12988 192.1
[M+Na]+ 601.11182 199.1
[M-H]- 577.11532 201.8
[M+NH4]+ 596.15642 201.4
[M+K]+ 617.08576 208.1
[M+H-H2O]+ 561.11986 180.4
[M+HCOO]- 623.12080 203.7
[M+CH3COO]- 637.13645 256.8
[M+Na-2H]- 599.09727 189.2
[M]+ 578.12205 186.3
[M]- 578.12315 186.3
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.