CID 14433681

55427-50-4

Structural Information

Molecular Formula
C10H9F13O2
SMILES
C(COCCO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H9F13O2/c11-5(12,1-3-25-4-2-24)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h24H,1-4H2
InChIKey
YAQLJWSYXRXTDO-UHFFFAOYSA-N
Compound name
2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

408.0395 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.04678 179.5
[M+Na]+ 431.02872 187.5
[M-H]- 407.03222 163.8
[M+NH4]+ 426.07332 159.1
[M+K]+ 447.00266 184.1
[M+H-H2O]+ 391.03676 165.9
[M+HCOO]- 453.03770 174.0
[M+CH3COO]- 467.05335 220.3
[M+Na-2H]- 429.01417 182.0
[M]+ 408.03895 161.1
[M]- 408.04005 161.1
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