CID 138396283

Dtxsid20895258

Structural Information

Molecular Formula
C12H10F15I
SMILES
CCCC(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C12H10F15I/c1-2-3-5(28)4-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h5H,2-4H2,1H3
InChIKey
IABUHMJGHDOUKS-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

565.95874 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.96602 204.6
[M+Na]+ 588.94796 211.3
[M-H]- 564.95146 207.8
[M+NH4]+ 583.99256 212.6
[M+K]+ 604.92190 198.1
[M+H-H2O]+ 548.95600 177.7
[M+HCOO]- 610.95694 221.0
[M+CH3COO]- 624.97259 238.5
[M+Na-2H]- 586.93341 185.1
[M]+ 565.95819 201.6
[M]- 565.95929 201.6
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