CID 11488061

1-[di(propan-2-yl)amino]-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol

Structural Information

Molecular Formula
C14H18F13NO
SMILES
CC(C)N(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)C(C)C
InChI
InChI=1S/C14H18F13NO/c1-6(2)28(7(3)4)5-8(29)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h6-8,29H,5H2,1-4H3
InChIKey
JUWKOBUPPPSOGZ-UHFFFAOYSA-N
Compound name
1-[di(propan-2-yl)amino]-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.11807 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.12535 182.5
[M+Na]+ 486.10729 182.0
[M+NH4]+ 481.15189 181.4
[M+K]+ 502.08123 181.0
[M-H]- 462.11079 177.9
[M+Na-2H]- 484.09274 180.3
[M]+ 463.11752 180.9
[M]- 463.11862 180.9
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.