CID 138396334

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetracos-9-ene

Structural Information

Molecular Formula
C24H31F17
SMILES
CCCCCCCCCCCCCCC=CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C24H31F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h15-16H,2-14H2,1H3
InChIKey
RCYQBTCBMWWCTR-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetracos-9-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

642.21545 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.22273 210.5
[M+Na]+ 665.20467 214.9
[M-H]- 641.20817 211.6
[M+NH4]+ 660.24927 218.2
[M+K]+ 681.17861 226.9
[M+H-H2O]+ 625.21271 198.5
[M+HCOO]- 687.21365 227.2
[M+CH3COO]- 701.22930 264.1
[M+Na-2H]- 663.19012 204.5
[M]+ 642.21490 208.3
[M]- 642.21600 208.3
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.