CID 138396301

Dtxsid80895416

Structural Information

Molecular Formula
C20H20F21I
SMILES
CCCCCCCCC(CC(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)(F)F)(F)F)I
InChI
InChI=1S/C20H20F21I/c1-2-3-4-5-6-7-8-10(42)9-11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)19(37,38)20(39,40)41/h10H,2-9H2,1H3
InChIKey
GNZWFMZOQNGUOW-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodoicosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

786.02747 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.03475 238.7
[M+Na]+ 809.01669 242.7
[M-H]- 785.02019 244.6
[M+NH4]+ 804.06129 249.1
[M+K]+ 824.99063 256.1
[M+H-H2O]+ 769.02473 226.3
[M+HCOO]- 831.02567 252.4
[M+CH3COO]- 845.04132 268.5
[M+Na-2H]- 807.00214 233.9
[M]+ 786.02692 235.0
[M]- 786.02802 235.0
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.