CID 3023871

94159-80-5

Structural Information

Molecular Formula
C18H19F21N2O
SMILES
CN(C)CCCNCC(CC(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)O
InChI
InChI=1S/C18H19F21N2O/c1-41(2)5-3-4-40-7-8(42)6-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h8,40,42H,3-7H2,1-2H3
InChIKey
FYKFVLMDMBLILP-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propylamino]-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

678.1162 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.12348 153.1
[M+Na]+ 701.10542 153.1
[M+NH4]+ 696.15002 153.2
[M+K]+ 717.07936 153.1
[M-H]- 677.10892 153.1
[M+Na-2H]- 699.09087 153.1
[M]+ 678.11565 153.1
[M]- 678.11675 153.1
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.