CID 2776233

7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol

Structural Information

Molecular Formula
C15H13F19O
SMILES
C(CCCO)CCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H13F19O/c16-7(17,5-3-1-2-4-6-35)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h35H,1-6H2
InChIKey
NLUBBCMDGCPSRF-UHFFFAOYSA-N
Compound name
7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

570.0663 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.07358 160.2
[M+Na]+ 593.05552 160.3
[M+NH4]+ 588.10012 160.2
[M+K]+ 609.02946 160.8
[M-H]- 569.05902 159.6
[M+Na-2H]- 591.04097 160.8
[M]+ 570.06575 160.0
[M]- 570.06685 160.0
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

patents stripe