CID 85578756

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

Structural Information

Molecular Formula
C22H27F17
SMILES
CCCCCCCCCCCCC=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/C22H27F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h13-14H,2-12H2,1H3
InChIKey
ONGKSGMSSKZXAC-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodocos-9-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

614.18414 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.19142 203.4
[M+Na]+ 637.17336 208.1
[M-H]- 613.17686 205.1
[M+NH4]+ 632.21796 211.2
[M+K]+ 653.14730 219.5
[M+H-H2O]+ 597.18140 191.7
[M+HCOO]- 659.18234 220.8
[M+CH3COO]- 673.19799 259.3
[M+Na-2H]- 635.15881 198.3
[M]+ 614.18359 201.3
[M]- 614.18469 201.3
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.