CID 15464413

38565-62-7

Structural Information

Molecular Formula
C12H8F17I
SMILES
C(CCI)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H8F17I/c13-5(14,3-1-2-4-30)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h1-4H2
InChIKey
COCSOQXWZIWLBV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-12-iodododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

601.93994 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.94722 205.0
[M+Na]+ 624.92916 210.7
[M-H]- 600.93266 208.6
[M+NH4]+ 619.97376 212.8
[M+K]+ 640.90310 218.9
[M+H-H2O]+ 584.93720 194.6
[M+HCOO]- 646.93814 223.3
[M+CH3COO]- 660.95379 243.0
[M+Na-2H]- 622.91461 201.5
[M]+ 601.93939 201.9
[M]- 601.94049 201.9
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