CID 2752556

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanenitrile

Structural Information

Molecular Formula
C11H4F17N
SMILES
C(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)C#N
InChI
InChI=1S/C11H4F17N/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2
InChIKey
XDVOHXVWJNEFGQ-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

473.00723 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.01451 181.1
[M+Na]+ 495.99645 181.4
[M-H]- 471.99995 180.6
[M+NH4]+ 491.04105 182.8
[M+K]+ 511.97039 187.7
[M+H-H2O]+ 456.00449 160.9
[M+HCOO]- 518.00543 193.5
[M+CH3COO]- 532.02108 240.6
[M+Na-2H]- 493.98190 182.8
[M]+ 473.00668 173.2
[M]- 473.00778 173.2
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

patents stripe