CID 138396303

Dtxsid70895420

Structural Information

Molecular Formula
C22H28F17I
SMILES
CCCCCCCCCCCCC(CC(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
InChI
InChI=1S/C22H28F17I/c1-2-3-4-5-6-7-8-9-10-11-12-14(40)13-15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h14H,2-13H2,1H3
InChIKey
PZEUYQKZNADPEH-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iododocosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

742.09644 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 743.10372 240.6
[M+Na]+ 765.08566 245.1
[M-H]- 741.08916 242.6
[M+NH4]+ 760.13026 249.3
[M+K]+ 781.05960 256.9
[M+H-H2O]+ 725.09370 229.4
[M+HCOO]- 787.09464 253.7
[M+CH3COO]- 801.11029 266.1
[M+Na-2H]- 763.07111 233.3
[M]+ 742.09589 236.5
[M]- 742.09699 236.5
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.