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
2
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 181.1
[M+Na]+ 486.10729 189.8
[M-H]- 462.11079 189.0
[M+NH4]+ 481.15189 191.9
[M+K]+ 502.08123 196.3
[M+H-H2O]+ 446.11533 173.9
[M+HCOO]- 508.11627 190.3
[M+CH3COO]- 522.13192 238.7
[M+Na-2H]- 484.09274 178.9
[M]+ 463.11752 177.9
[M]- 463.11862 177.9
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.