CID 138396340

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorohexacos-11-ene

Structural Information

Molecular Formula
C26H31F21
SMILES
CCCCCCCCCCCCCCC=CC(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/C26H31F21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)23(39,40)24(41,42)25(43,44)26(45,46)47/h15-16H,2-14H2,1H3
InChIKey
VUFRWFCKWJGTIS-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-henicosafluorohexacos-11-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

742.20905 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 743.21633 222.9
[M+Na]+ 765.19827 226.1
[M-H]- 741.20177 227.1
[M+NH4]+ 760.24287 232.5
[M+K]+ 781.17221 241.3
[M+H-H2O]+ 725.20631 209.2
[M+HCOO]- 787.20725 238.8
[M+CH3COO]- 801.22290 275.4
[M+Na-2H]- 763.18372 217.9
[M]+ 742.20850 220.7
[M]- 742.20960 220.7
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.