CID 138396295

Dtxsid80895370

Structural Information

Molecular Formula
C23H32F15I
SMILES
CCCCCCCCCCCCCCC(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C23H32F15I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(39)15-17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h16H,2-15H2,1H3
InChIKey
QGHZNZSVANDDGP-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodotricosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

720.1309 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.13818 242.0
[M+Na]+ 743.12012 246.9
[M-H]- 719.12362 241.8
[M+NH4]+ 738.16472 249.6
[M+K]+ 759.09406 257.6
[M+H-H2O]+ 703.12816 231.7
[M+HCOO]- 765.12910 254.6
[M+CH3COO]- 779.14475 264.6
[M+Na-2H]- 741.10557 233.5
[M]+ 720.13035 237.8
[M]- 720.13145 237.8
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

patents stripe