CID 99648011

Dtxsid80895299

Structural Information

Molecular Formula
C13H4F23I
SMILES
C(CI)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H4F23I/c14-3(15,1-2-37)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)36/h1-2H2
InChIKey
ROBJGVIBSNEVQR-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-13-iodotridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

723.89905 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 724.906326 216.3
[M+Na]+ 746.888268 220.5
[M-H]- 722.891774 224.1
[M+NH4]+ 741.932873 226.4
[M+K]+ 762.862208 232.6
[M+H-H2O]+ 706.896310 203.8
[M+HCOO]- 768.897251 233.6
[M+CH3COO]- 782.912901 257.5
[M+Na-2H]- 744.873716 214.9
[M]+ 723.89850142 213.2
[M]- 723.89959858 213.2
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