CID 71446393

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,9-octadecafluoro-8-iodononane

Structural Information

Molecular Formula
C9HF18I
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)I
InChI
InChI=1S/C9HF18I/c10-2(11,1(28)3(12,13)14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27/h1H
InChIKey
IWKJBTWWSDUWMD-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,9-octadecafluoro-8-iodononane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

577.88354 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.890816 197.8
[M+Na]+ 600.872758 204.4
[M-H]- 576.876264 203.6
[M+NH4]+ 595.917363 206.9
[M+K]+ 616.846698 212.1
[M+H-H2O]+ 560.880800 173.2
[M+HCOO]- 622.881741 215.0
[M+CH3COO]- 636.897391 238.3
[M+Na-2H]- 598.858206 196.2
[M]+ 577.88299142 194.3
[M]- 577.88408858 194.3
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

No patent data available for this compound.