CID 3077865

135798-17-3

Structural Information

Molecular Formula
C10H5F16I
SMILES
C(CI)C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F16I/c11-3(12)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)1-2-27/h3H,1-2H2
InChIKey
YPSIIUVSKRQRFE-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-10-iododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

555.918 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.92528 166.6
[M+Na]+ 578.90722 166.4
[M+NH4]+ 573.95182 166.1
[M+K]+ 594.88116 166.4
[M-H]- 554.91072 164.5
[M+Na-2H]- 576.89267 165.9
[M]+ 555.91745 165.9
[M]- 555.91855 165.9
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