CID 70082

865-77-0

Structural Information

Molecular Formula
C9F19I
SMILES
C(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C9F19I/c10-1(7(21,22)23,8(24,25)26)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)9(27,28)29
InChIKey
VRJGWRPPKVEMMR-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodo-2-(trifluoromethyl)octane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

46
Patents

595.87415 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.88143 197.6
[M+Na]+ 618.86337 203.5
[M-H]- 594.86687 203.9
[M+NH4]+ 613.90797 206.5
[M+K]+ 634.83731 212.0
[M+H-H2O]+ 578.87141 186.8
[M+HCOO]- 640.87235 216.9
[M+CH3COO]- 654.88800 240.5
[M+Na-2H]- 616.84882 196.3
[M]+ 595.87360 194.9
[M]- 595.87470 194.9
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