CID 138396294

Dtxsid70895369

Structural Information

Molecular Formula
C14H10F18I2
SMILES
C(CC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I)C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C14H10F18I2/c15-7(16,9(19,20)11(23,24)13(27,28)29)3-5(33)1-2-6(34)4-8(17,18)10(21,22)12(25,26)14(30,31)32/h5-6H,1-4H2
InChIKey
IAPGYSNDNDIXDV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,11,11,12,12,13,13,14,14,14-octadecafluoro-6,9-diiodotetradecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

773.85846 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 774.86574 261.8
[M+Na]+ 796.84768 267.1
[M-H]- 772.85118 266.3
[M+NH4]+ 791.89228 270.6
[M+K]+ 812.82162 275.5
[M+H-H2O]+ 756.85572 253.3
[M+HCOO]- 818.85666 272.6
[M+CH3COO]- 832.87231 255.3
[M+Na-2H]- 794.83313 256.9
[M]+ 773.85791 256.5
[M]- 773.85901 256.5
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.