CID 138396285

Dtxsid20895298

Structural Information

Molecular Formula
C12H10F14I2
SMILES
C(CC(CC(C(C(F)(F)F)(F)F)(F)F)I)C(CC(C(C(F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C12H10F14I2/c13-7(14,9(17,18)11(21,22)23)3-5(27)1-2-6(28)4-8(15,16)10(19,20)12(24,25)26/h5-6H,1-4H2
InChIKey
WJNIYEZAXUFEOA-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-5,8-diiodododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

673.86487 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 674.87215 182.9
[M+Na]+ 696.85409 259.6
[M-H]- 672.85759 255.2
[M+NH4]+ 691.89869 260.4
[M+K]+ 712.82803 184.6
[M+H-H2O]+ 656.86213 165.8
[M+HCOO]- 718.86307 264.3
[M+CH3COO]- 732.87872 243.7
[M+Na-2H]- 694.83954 167.8
[M]+ 673.86432 248.0
[M]- 673.86542 248.0
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

No patent data available for this compound.