CID 2776214

1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-12-iodo-2-(trifluoromethyl)dodecane

Structural Information

Molecular Formula
C13H4F23I
SMILES
C(CI)C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(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)5(17,18)7(21,22)9(25,26)11(29,30)10(27,28)8(23,24)6(19,20)4(16,12(31,32)33)13(34,35)36/h1-2H2
InChIKey
HDJVNLHEEQBBJS-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-12-iodo-2-(trifluoromethyl)dodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

723.89905 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 724.90633 216.5
[M+Na]+ 746.88827 220.8
[M-H]- 722.89177 224.4
[M+NH4]+ 741.93287 226.7
[M+K]+ 762.86221 232.9
[M+H-H2O]+ 706.89631 204.1
[M+HCOO]- 768.89725 233.9
[M+CH3COO]- 782.91290 257.1
[M+Na-2H]- 744.87372 215.2
[M]+ 723.89850 213.4
[M]- 723.89960 213.4
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