CID 527539

Perfluoroundecane

Structural Information

Molecular Formula
C11F24
SMILES
C(C(C(C(C(C(F)(F)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)(F)F
InChI
InChI=1S/C11F24/c12-1(13,2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32)3(16,17)5(20,21)7(24,25)9(28,29)11(33,34)35
InChIKey
VCIVYCHKSHULON-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tetracosafluoroundecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

205
Patents

587.9617 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.96898 176.9
[M+Na]+ 610.95092 181.5
[M-H]- 586.95442 185.8
[M+NH4]+ 605.99552 187.4
[M+K]+ 626.92486 193.5
[M+H-H2O]+ 570.95896 164.7
[M+HCOO]- 632.95990 196.4
[M+CH3COO]- 646.97555 250.0
[M+Na-2H]- 608.93637 179.0
[M]+ 587.96115 175.0
[M]- 587.96225 175.0
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