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

34
Patents

379.9872 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.994476 161.7
[M+Na]+ 402.976418 162.1
[M-H]- 378.979924 147.0
[M+NH4]+ 398.021023 173.1
[M+K]+ 418.950358 165.3
[M+H-H2O]+ 362.984460 148.6
[M+HCOO]- 424.985401 166.9
[M+CH3COO]- 439.001051 207.9
[M+Na-2H]- 400.961866 151.9
[M]+ 379.98665142 150.7
[M]- 379.98774858 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