CID 22011097

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-methyldecane

Structural Information

Molecular Formula
C11H11F13
SMILES
CC(C)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H11F13/c1-5(2)3-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5H,3-4H2,1-2H3
InChIKey
AVDKLXAZCBCCIL-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-methyldecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

390.0653 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.07258 180.5
[M+Na]+ 413.05452 180.5
[M+NH4]+ 408.09912 179.7
[M+K]+ 429.02846 179.2
[M-H]- 389.05802 176.1
[M+Na-2H]- 411.03997 178.7
[M]+ 390.06475 179.1
[M]- 390.06585 179.1
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