CID 108999

2-(perfluorotetradecyl)ethanol

Structural Information

Molecular Formula
C16H5F29O
SMILES
C(CO)C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H5F29O/c17-3(18,1-2-46)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)45/h46H,1-2H2
InChIKey
ZDUOTHMDVYXZBS-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

52
Patents

763.98773 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 764.99501 152.5
[M+Na]+ 786.97695 152.5
[M+NH4]+ 782.02155 152.5
[M+K]+ 802.95089 152.5
[M-H]- 762.98045 152.5
[M+Na-2H]- 784.96240 152.5
[M]+ 763.98718 152.5
[M]- 763.98828 152.5
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