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 189.2
[M+Na]+ 578.90722 204.7
[M-H]- 554.91072 201.5
[M+NH4]+ 573.95182 205.9
[M+K]+ 594.88116 193.1
[M+H-H2O]+ 538.91526 171.7
[M+HCOO]- 600.91620 214.6
[M+CH3COO]- 614.93185 236.6
[M+Na-2H]- 576.89267 179.8
[M]+ 555.91745 194.4
[M]- 555.91855 194.4
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