CID 58901238

922524-02-5

Structural Information

Molecular Formula
C9H3F16I
SMILES
C(C(C(F)(F)F)I)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H3F16I/c10-3(11,1-2(26)4(12,13)14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)25/h2H,1H2
InChIKey
LASSFECWGDYERA-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,9-hexadecafluoro-8-iodononane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

541.9024 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.909676 184.5
[M+Na]+ 564.891618 187.6
[M-H]- 540.895124 199.2
[M+NH4]+ 559.936223 203.3
[M+K]+ 580.865558 189.1
[M+H-H2O]+ 524.899660 167.2
[M+HCOO]- 586.900601 212.4
[M+CH3COO]- 600.916251 233.1
[M+Na-2H]- 562.877066 175.6
[M]+ 541.90185142 191.6
[M]- 541.90294858 191.6
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