CID 99647785

Dtxsid00895357

Structural Information

Molecular Formula
C24H29F21
SMILES
CCCCCCCCCCCCCCC(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
InChI
InChI=1S/C24H29F21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)21(37,38)22(39,40)23(41,42)24(43,44)45/h2-14H2,1H3
InChIKey
GQYLDQKHNZGRQD-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-henicosafluorotetracosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

716.1934 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 717.20068 217.1
[M+Na]+ 739.18262 220.2
[M-H]- 715.18612 221.3
[M+NH4]+ 734.22722 226.6
[M+K]+ 755.15656 235.1
[M+H-H2O]+ 699.19066 203.6
[M+HCOO]- 761.19160 233.1
[M+CH3COO]- 775.20725 272.4
[M+Na-2H]- 737.16807 212.7
[M]+ 716.19285 215.2
[M]- 716.19395 215.2
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.