CID 11125185

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodohexadecane

Structural Information

Molecular Formula
C16H16F17I
SMILES
CCCCCCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C16H16F17I/c1-2-3-4-5-6-8(34)7-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h8H,2-7H2,1H3
InChIKey
HIRWAQFMDABHLG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodohexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

658.0025 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.00978 220.7
[M+Na]+ 680.99172 226.2
[M-H]- 656.99522 224.5
[M+NH4]+ 676.03632 229.6
[M+K]+ 696.96566 236.1
[M+H-H2O]+ 640.99976 210.3
[M+HCOO]- 703.00070 235.8
[M+CH3COO]- 717.01635 252.6
[M+Na-2H]- 678.97717 215.9
[M]+ 658.00195 217.2
[M]- 658.00305 217.2
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