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
2
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 181.5
[M+Na]+ 593.05552 185.3
[M-H]- 569.05902 186.9
[M+NH4]+ 588.10012 189.2
[M+K]+ 609.02946 196.1
[M+H-H2O]+ 553.06356 169.0
[M+HCOO]- 615.06450 199.4
[M+CH3COO]- 629.08015 247.4
[M+Na-2H]- 591.04097 179.3
[M]+ 570.06575 179.2
[M]- 570.06685 179.2
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