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
2
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 184.9
[M+Na]+ 540.93042 186.3
[M-H]- 516.93392 164.4
[M+NH4]+ 535.97502 199.8
[M+K]+ 556.90436 188.0
[M+H-H2O]+ 500.93846 168.9
[M+HCOO]- 562.93940 209.8
[M+CH3COO]- 576.95505 227.5
[M+Na-2H]- 538.91587 175.3
[M]+ 517.94065 163.8
[M]- 517.94175 163.8
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