CID 85520295

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

Structural Information

Molecular Formula
C11H2F20
SMILES
C(=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H2F20/c12-3(13,5(16,17)7(20,21)9(24,25)11(29,30)31)1-2-4(14,15)6(18,19)8(22,23)10(26,27)28/h1-2H
InChIKey
MGVUWCOSZAVONX-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,11,11,11-icosafluoroundec-5-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

513.9837 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.99098 168.0
[M+Na]+ 536.97292 174.0
[M-H]- 512.97642 174.7
[M+NH4]+ 532.01752 177.2
[M+K]+ 552.94686 183.3
[M+H-H2O]+ 496.98096 157.0
[M+HCOO]- 558.98190 188.8
[M+CH3COO]- 572.99755 239.5
[M+Na-2H]- 534.95837 168.8
[M]+ 513.98315 166.2
[M]- 513.98425 166.2
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.