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

26
Patents

541.9024 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.90968 184.5
[M+Na]+ 564.89162 187.6
[M-H]- 540.89512 199.2
[M+NH4]+ 559.93622 203.3
[M+K]+ 580.86556 189.1
[M+H-H2O]+ 524.89966 167.2
[M+HCOO]- 586.90060 212.4
[M+CH3COO]- 600.91625 233.1
[M+Na-2H]- 562.87707 175.6
[M]+ 541.90185 191.6
[M]- 541.90295 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