CID 14993423

Tricosafluoroundecyl iodide

Structural Information

Molecular Formula
C11F23I
SMILES
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11F23I/c12-1(13,2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32)3(16,17)5(20,21)7(24,25)9(28,29)11(33,34)35
InChIKey
TZOCNIUPCRBERM-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluoro-11-iodoundecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

695.86774 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 696.875016 209.9
[M+Na]+ 718.856958 214.4
[M-H]- 694.860464 218.2
[M+NH4]+ 713.901563 220.1
[M+K]+ 734.830898 226.0
[M+H-H2O]+ 678.865000 197.7
[M+HCOO]- 740.865941 227.8
[M+CH3COO]- 754.881591 253.6
[M+Na-2H]- 716.842406 209.3
[M]+ 695.86719142 206.9
[M]- 695.86828858 206.9
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