CID 14417676

1,1,1,2,2,3,3-heptafluoro-5-iodoundecane

Structural Information

Molecular Formula
C11H16F7I
SMILES
CCCCCCC(CC(C(C(F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C11H16F7I/c1-2-3-4-5-6-8(19)7-9(12,13)10(14,15)11(16,17)18/h8H,2-7H2,1H3
InChIKey
NEOGUXPCNJGTPD-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-5-iodoundecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

408.0185 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.02578 171.6
[M+Na]+ 431.00772 171.3
[M-H]- 407.01122 156.6
[M+NH4]+ 426.05232 182.0
[M+K]+ 446.98166 173.9
[M+H-H2O]+ 391.01576 158.1
[M+HCOO]- 453.01670 176.2
[M+CH3COO]- 467.03235 213.4
[M+Na-2H]- 428.99317 160.7
[M]+ 408.01795 161.3
[M]- 408.01905 161.3
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