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]+ 721.175606 214.4
[M+Na]+ 743.157548 217.6
[M-H]- 719.161054 218.7
[M+NH4]+ 738.202153 223.8
[M+K]+ 759.131488 232.2
[M+H-H2O]+ 703.165590 201.2
[M+HCOO]- 765.166531 230.4
[M+CH3COO]- 779.182181 271.4
[M+Na-2H]- 741.142996 210.6
[M]+ 720.16778142 211.7
[M]- 720.16887858 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.