CID 85546664

Dtxsid40895371

Structural Information

Molecular Formula
C24H31F19
SMILES
CCCCCCCCCCCCCCCC(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
InChI
InChI=1S/C24H31F19/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)23(39,40)24(41,42)43/h2-15H2,1H3
InChIKey
STDVZKPRYDVFNA-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorotetracosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

680.2122 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.21948 214.3
[M+Na]+ 703.20142 217.8
[M-H]- 679.20492 216.7
[M+NH4]+ 698.24602 222.9
[M+K]+ 719.17536 231.6
[M+H-H2O]+ 663.20946 201.5
[M+HCOO]- 725.21040 230.4
[M+CH3COO]- 739.22605 269.2
[M+Na-2H]- 701.18687 208.9
[M]+ 680.21165 212.3
[M]- 680.21275 212.3
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.