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]+ 578.89082 197.8
[M+Na]+ 600.87276 204.4
[M-H]- 576.87626 203.6
[M+NH4]+ 595.91736 206.9
[M+K]+ 616.84670 212.1
[M+H-H2O]+ 560.88080 173.2
[M+HCOO]- 622.88174 215.0
[M+CH3COO]- 636.89739 238.3
[M+Na-2H]- 598.85821 196.2
[M]+ 577.88299 194.3
[M]- 577.88409 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.