CID 4586586

1,1,1,2,2,3,3-heptafluoro-5-iodononane

Structural Information

Molecular Formula
C9H12F7I
SMILES
CCCCC(CC(C(C(F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C9H12F7I/c1-2-3-4-6(17)5-7(10,11)8(12,13)9(14,15)16/h6H,2-5H2,1H3
InChIKey
OREPMMRTKSCBPA-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-5-iodononane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

379.9872 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.99448 161.7
[M+Na]+ 402.97642 162.1
[M-H]- 378.97992 147.0
[M+NH4]+ 398.02102 173.1
[M+K]+ 418.95036 165.3
[M+H-H2O]+ 362.98446 148.6
[M+HCOO]- 424.98540 166.9
[M+CH3COO]- 439.00105 207.9
[M+Na-2H]- 400.96187 151.9
[M]+ 379.98665 150.7
[M]- 379.98775 150.7
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