CID 22002824

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroundecane

Structural Information

Molecular Formula
C11H7F17
SMILES
CCCC(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/C11H7F17/c1-2-3-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h2-3H2,1H3
InChIKey
DTLGDSAWSCMUJZ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

154
Patents

462.02762 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.03490 162.8
[M+Na]+ 485.01684 162.9
[M+NH4]+ 480.06144 162.6
[M+K]+ 500.99078 163.1
[M-H]- 461.02034 161.4
[M+Na-2H]- 483.00229 163.0
[M]+ 462.02707 162.4
[M]- 462.02817 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe