CID 138396308

Dtxsid30895426

Structural Information

Molecular Formula
C24H32F17I
SMILES
CCCCCCCCCCCCCCC(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/C24H32F17I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(42)15-17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h16H,2-15H2,1H3
InChIKey
IGCVTPSDLNOIHO-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodotetracosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

770.12775 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 771.13503 247.0
[M+Na]+ 793.11697 251.3
[M-H]- 769.12047 248.5
[M+NH4]+ 788.16157 255.7
[M+K]+ 809.09091 263.7
[M+H-H2O]+ 753.12501 235.6
[M+HCOO]- 815.12595 259.5
[M+CH3COO]- 829.14160 270.6
[M+Na-2H]- 791.10242 239.0
[M]+ 770.12720 242.9
[M]- 770.12830 242.9
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.