CID 2760321

11:1 fluorotelomer alcohol

Structural Information

Molecular Formula
C12H3F23O
SMILES
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)O
InChI
InChI=1S/C12H3F23O/c13-2(14,1-36)3(15,16)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)35/h36H,1H2
InChIKey
SHTZQFTXUMCALC-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

47
References

155
Patents

599.9817 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.98898 178.2
[M+Na]+ 622.97092 181.6
[M-H]- 598.97442 187.2
[M+NH4]+ 618.01552 187.7
[M+K]+ 638.94486 193.9
[M+H-H2O]+ 582.97896 164.9
[M+HCOO]- 644.97990 196.5
[M+CH3COO]- 658.99555 250.1
[M+Na-2H]- 620.95637 179.0
[M]+ 599.98115 176.2
[M]- 599.98225 176.2
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

No patent data available for this compound.