CID 14400498

Dtxsid60896683

Structural Information

Molecular Formula
C20H23F17
SMILES
CCCCCCCCCC/C=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
InChI
InChI=1S/C20H23F17/c1-2-3-4-5-6-7-8-9-10-11-12-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h11-12H,2-10H2,1H3/b12-11+
InChIKey
ZFYUUPVIDOJWAX-VAWYXSNFSA-N
Compound name
(E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroicos-9-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

586.15283 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.16011 196.2
[M+Na]+ 609.14205 201.3
[M-H]- 585.14555 198.6
[M+NH4]+ 604.18665 204.1
[M+K]+ 625.11599 212.0
[M+H-H2O]+ 569.15009 184.8
[M+HCOO]- 631.15103 214.3
[M+CH3COO]- 645.16668 254.5
[M+Na-2H]- 607.12750 192.0
[M]+ 586.15228 194.3
[M]- 586.15338 194.3
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.