CID 99769103

Dtxsid50895408

Structural Information

Molecular Formula
C23H26F22
SMILES
C(CCCCCCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C23H26F22/c24-14(25,16(28,29)18(32,33)20(36,37)22(40,41)42)12-10-8-6-4-2-1-3-5-7-9-11-13-15(26,27)17(30,31)19(34,35)21(38,39)23(43,44)45/h1-13H2
InChIKey
JGSMPDWWNWUKFQ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,19,19,20,20,21,21,22,22,23,23,23-docosafluorotricosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

720.16833 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.17561 214.4
[M+Na]+ 743.15755 217.6
[M-H]- 719.16105 218.7
[M+NH4]+ 738.20215 223.8
[M+K]+ 759.13149 232.2
[M+H-H2O]+ 703.16559 201.2
[M+HCOO]- 765.16653 230.4
[M+CH3COO]- 779.18218 271.4
[M+Na-2H]- 741.14300 210.6
[M]+ 720.16778 211.7
[M]- 720.16888 211.7
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.