CID 138396288

Dtxsid10895323

Structural Information

Molecular Formula
C12H3F22I
SMILES
C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I)C(C(F)(F)F)(F)F
InChI
InChI=1S/C12H3F22I/c13-3(14,11(29,30)31)1-2(35)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)12(32,33)34/h2H,1H2
InChIKey
KWEXQPFKOSBNKY-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,11,11,12,12,12-docosafluoro-9-iodododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

691.8928 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 692.90008 213.8
[M+Na]+ 714.88202 218.9
[M-H]- 690.88552 221.6
[M+NH4]+ 709.92662 224.3
[M+K]+ 730.85596 230.1
[M+H-H2O]+ 674.89006 202.5
[M+HCOO]- 736.89100 229.7
[M+CH3COO]- 750.90665 253.6
[M+Na-2H]- 712.86747 212.4
[M]+ 691.89225 210.0
[M]- 691.89335 210.0
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.