CID 74309

1682-31-1

Structural Information

Molecular Formula
C7H4F11I
SMILES
C(CI)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H4F11I/c8-3(9,1-2-19)4(10,11)5(12,13)6(14,15)7(16,17)18/h1-2H2
InChIKey
KEHJVWWDDAAVHB-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodoheptane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

21
Patents

423.9182 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.92548 162.7
[M+Na]+ 446.90742 165.3
[M-H]- 422.91092 145.1
[M+NH4]+ 441.95202 172.1
[M+K]+ 462.88136 167.7
[M+H-H2O]+ 406.91546 147.8
[M+HCOO]- 468.91640 162.8
[M+CH3COO]- 482.93205 213.9
[M+Na-2H]- 444.89287 155.3
[M]+ 423.91765 145.0
[M]- 423.91875 145.0
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