CID 162368

2-(perfluorododecyl)ethanol

Structural Information

Molecular Formula
C14H5F25O
SMILES
C(CO)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
InChI
InChI=1S/C14H5F25O/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h40H,1-2H2
InChIKey
QBBJBWKVSJWYQK-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

92
Patents

663.99414 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.00142 189.2
[M+Na]+ 686.98336 191.9
[M-H]- 662.98686 198.8
[M+NH4]+ 682.02796 199.2
[M+K]+ 702.95730 205.7
[M+H-H2O]+ 646.99140 175.3
[M+HCOO]- 708.99234 206.4
[M+CH3COO]- 723.00799 257.8
[M+Na-2H]- 684.96881 190.0
[M]+ 663.99359 186.9
[M]- 663.99469 186.9
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

patents stripe