CID 22002852

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoroundecane

Structural Information

Molecular Formula
C11H11F13
SMILES
CCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H11F13/c1-2-3-4-5-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-5H2,1H3
InChIKey
MXWAWYKEMQNBBF-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoroundecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

390.0653 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.07258 178.3
[M+Na]+ 413.05452 186.6
[M-H]- 389.05802 163.9
[M+NH4]+ 408.09912 164.0
[M+K]+ 429.02846 182.8
[M+H-H2O]+ 373.06256 164.6
[M+HCOO]- 435.06350 179.1
[M+CH3COO]- 449.07915 222.1
[M+Na-2H]- 411.03997 180.1
[M]+ 390.06475 159.4
[M]- 390.06585 159.4
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