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]+ 681.219476 214.3
[M+Na]+ 703.201418 217.8
[M-H]- 679.204924 216.7
[M+NH4]+ 698.246023 222.9
[M+K]+ 719.175358 231.6
[M+H-H2O]+ 663.209460 201.5
[M+HCOO]- 725.210401 230.4
[M+CH3COO]- 739.226051 269.2
[M+Na-2H]- 701.186866 208.9
[M]+ 680.21165142 212.3
[M]- 680.21274858 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.