CID 13299951

1,1,1,2,2,3,3,4,4-nonafluoro-6-iodoundecane

Structural Information

Molecular Formula
C11H14F9I
SMILES
CCCCCC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C11H14F9I/c1-2-3-4-5-7(21)6-8(12,13)9(14,15)10(16,17)11(18,19)20/h7H,2-6H2,1H3
InChIKey
ZJRXNPPPEHEXIG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-6-iodoundecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

443.99966 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.00694 175.6
[M+Na]+ 466.98888 176.0
[M-H]- 442.99238 158.9
[M+NH4]+ 462.03348 184.5
[M+K]+ 482.96282 178.3
[M+H-H2O]+ 426.99692 161.2
[M+HCOO]- 488.99786 176.9
[M+CH3COO]- 503.01351 219.3
[M+Na-2H]- 464.97433 165.0
[M]+ 443.99911 162.0
[M]- 444.00021 162.0
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