CID 12016774

183547-74-2

Structural Information

Molecular Formula
C7H6F9I
SMILES
C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CI
InChI
InChI=1S/C7H6F9I/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h1-3H2
InChIKey
BPQUIZZKLVTZOY-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-7-iodoheptane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

35
Patents

387.93704 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.94432 157.7
[M+Na]+ 410.92626 159.7
[M-H]- 386.92976 141.5
[M+NH4]+ 405.97086 168.6
[M+K]+ 426.90020 162.5
[M+H-H2O]+ 370.93430 143.8
[M+HCOO]- 432.93524 161.1
[M+CH3COO]- 446.95089 207.8
[M+Na-2H]- 408.91171 150.0
[M]+ 387.93649 143.3
[M]- 387.93759 143.3
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

patents stripe