CID 20029263

89889-25-8

Structural Information

Molecular Formula
C7H6F9I
SMILES
CC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C7H6F9I/c1-3(17)2-4(8,9)5(10,11)6(12,13)7(14,15)16/h3H,2H2,1H3
InChIKey
IDSZRNIXPFFLFW-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-6-iodoheptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

387.93704 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.94432 155.9
[M+Na]+ 410.92626 157.8
[M-H]- 386.92976 139.9
[M+NH4]+ 405.97086 166.9
[M+K]+ 426.90020 161.0
[M+H-H2O]+ 370.93430 142.2
[M+HCOO]- 432.93524 158.5
[M+CH3COO]- 446.95089 208.5
[M+Na-2H]- 408.91171 147.4
[M]+ 387.93649 141.0
[M]- 387.93759 141.0
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