CID 13680173

16083-68-4

Structural Information

Molecular Formula
C10H8F13IO
SMILES
C(CO)C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C10H8F13IO/c11-5(12,3-4(24)1-2-25)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4,25H,1-3H2
InChIKey
JOBQGMQWGMDRPL-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iododecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

517.9412 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.94848 181.5
[M+Na]+ 540.93042 180.5
[M+NH4]+ 535.97502 180.2
[M+K]+ 556.90436 179.7
[M-H]- 516.93392 176.5
[M+Na-2H]- 538.91587 178.1
[M]+ 517.94065 179.7
[M]- 517.94175 179.7
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